3-[4-Ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone
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기본 정보
- CAS
478063-59-1- 표준 SMILES
CCn1c(SCc2ccc(C)cc2)nnc1-c1nn(-c2ccccc2)ccc1=O- InChIKey
WQBBOQYKNAHQOL-UHFFFAOYSA-N- 분자식
- C22H21N5OS
- 평균 분자량
- 403.5 g/mol
- 단동위원소 질량
- 403.14668148
개요
3-[4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone is an aryl sulfide.
이름 및 식별자
- 우선 이름
- 3-[4-Ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone
- IUPAC
- 3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one
- 영어명
- 3-(4-ETHYL-5-[(4-METHYLBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-3-YL)-1-PHENYL-4(1H)-PYRIDAZINONE
- 분자식
- C22H21N5OS
- 분자량
- 403.5
이름 및 동의어
478063-59-13-(4-ethyl-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1-phenyl-1,4-dihydropyridazin-4-one3-[4-ethyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenylpyridazin-4-one3-[4-ethyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-phenyl-4-pyridazinone3-{4-ethyl-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-phenyl-4(1H)-pyridazinoneMLS000627869Oprea1_105132CHEMBL1572457CHEBI:105311HMS2278D03AKOS0050989016P-665S
이름 더 보기
3-(4-ETHYL-5-[(4-METHYLBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-3-YL)-1-PHENYL-4(1H)-PYRIDAZINONE4(1H)-Pyridazinone, 3-[4-ethyl-5-[[(4-methylphenyl)methyl]thio]-4H-1,2,4-triazol-3-yl]-1-phenyl-
SMR000179733Q27183032
물성
구조 계산 물성보충 중
- XLogP
- 4.1
- 극성 표면적
- 88.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 625
관련 반응
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