3-{[(2,6-dichlorobenzyl)sulfanyl]methyl}-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
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기본 정보
- CAS
344270-95-7- 표준 SMILES
CCn1c(CSCc2c(Cl)cccc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1- InChIKey
CHOUNABRQFDGMM-UHFFFAOYSA-N- 분자식
- C19H18Cl2N4O2S2
- 평균 분자량
- 469.4 g/mol
- 단동위원소 질량
- 468.0248236
이름 및 식별자
- 우선 이름
- 3-{[(2,6-dichlorobenzyl)sulfanyl]methyl}-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
- IUPAC
- 3-[(2,6-dichlorophenyl)methylsulfanylmethyl]-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
- 영어명
- 2,6-DICHLOROBENZYL (4-ETHYL-5-[(4-NITROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-3-YL)METHYL SULFIDE
- 분자식
- C19H18Cl2N4O2S2
- 분자량
- 469.41
이름 및 동의어
344270-95-73-{[(2,6-dichlorobenzyl)sulfanyl]methyl}-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole3-({[(2,6-dichlorophenyl)methyl]sulfanyl}methyl)-4-ethyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole3-[(2,6-dichlorophenyl)methylsulfanylmethyl]-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazoleAKOS0050977157H-466S3-(((2,6-Dichlorobenzyl)thio)methyl)-4-ethyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazole2,6-DICHLOROBENZYL (4-ETHYL-5-[(4-NITROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-3-YL)METHYL SULFIDE3-([(2,6-DICHLOROBENZYL)SULFANYL]METHYL)-4-ETHYL-5-[(4-NITROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOLE4H-1,2,4-Triazole, 3-[[[(2,6-dichlorophenyl)methyl]thio]methyl]-4-ethyl-5-[[(4-nitrophenyl)methyl]thio]-
데이터베이스 식별자
- CAS
344270-95-7- PubChem CID
- 4256418
물성
구조 계산 물성보충 중
- XLogP
- 5.1
- 극성 표면적
- 127 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 513
관련 반응
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