3-[(4-bromobenzyl)sulfanyl]-5-{[(2,6-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole
기본 정보
- CAS
344273-24-1- 표준 SMILES
Cn1c(CS(=O)Cc2c(Cl)cccc2Cl)nnc1SCc1ccc(Br)cc1- InChIKey
BOWJAOUYLBVQGX-UHFFFAOYSA-N- 분자식
- C18H16BrCl2N3OS2
- 평균 분자량
- 505.3 g/mol
이름 및 식별자
- 우선 이름
- 3-[(4-bromobenzyl)sulfanyl]-5-{[(2,6-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole
- IUPAC
- 3-[(4-bromophenyl)methylsulfanyl]-5-[(2,6-dichlorophenyl)methylsulfinylmethyl]-4-methyl-1,2,4-triazole
- 영어명
- (5-[(4-Bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl)methyl 2,6-dichlorobenzyl sulfoxide
- 분자식
- C18H16BrCl2N3OS2
- 분자량
- 505.28
이름 및 동의어
344273-24-13-[(4-bromobenzyl)sulfanyl]-5-{[(2,6-dichlorobenzyl)sulfinyl]methyl}-4-methyl-4H-1,2,4-triazole3-[(4-bromophenyl)methylsulfanyl]-5-[(2,6-dichlorophenyl)methylsulfinylmethyl]-4-methyl-1,2,4-triazole3-{[(4-bromophenyl)methyl]sulfanyl}-5-{[(2,6-dichlorophenyl)methanesulfinyl]methyl}-4-methyl-4H-1,2,4-triazoleAKOS0050978417H-505S3-((4-Bromobenzyl)thio)-5-(((2,6-dichlorobenzyl)sulfinyl)methyl)-4-methyl-4H-1,2,4-triazole3-[(4-BROMOBENZYL)SULFANYL]-5-([(2,6-DICHLOROBENZYL)SULFINYL]METHYL)-4-METHYL-4H-1,2,4-TRIAZOLE(5-[(4-Bromobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl)methyl 2,6-dichlorobenzyl sulfoxide4H-1,2,4-Triazole, 3-[[(4-bromophenyl)methyl]thio]-5-[[[(2,6-dichlorophenyl)methyl]sulfinyl]methyl]-4-methyl-
데이터베이스 식별자
- CAS
344273-24-1
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 92.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 489
관련 반응
0건
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