N-(3,4-dichlorophenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
기본 정보
- CAS
577695-77-3- 표준 SMILES
Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nnc2-c2ccncc2)cc1- InChIKey
MSIWPKCDGXPPAX-UHFFFAOYSA-N- 분자식
- C22H17Cl2N5OS
- 평균 분자량
- 470.4 g/mol
- 단동위원소 질량
- 469.0530867
이름 및 식별자
- 우선 이름
- N-(3,4-dichlorophenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
- IUPAC
- N-(3,4-dichlorophenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
이름 및 동의어
ZINC2381354MFCD03224386STK743167ZINC02381354AKOS000410153ZINC000002381354ST50417951CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C4=CC=NC=C4N(34dichlorophenyl)2((4(4methylphenyl)5(pyridin4yl)4H124triazol3yl)sulfanyl)acetamideN(34DICHLOROPHENYL)2((4(4METHYLPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ACETAMIDEN(34dichlorophenyl)2((5(pyridin4yl)4(ptolyl)4H124triazol3yl)thio)acetamideN(34DICHLOROPHENYL)2(4(4METHYLPHENYL)5(4PYRIDYL)(124TRIAZOL3YLTHIO))ACETAMIDE
이름 더 보기
N-(3,4-dichlorophenyl)-2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamideN-(3,4-dichlorophenyl)-2-[4-(4-methylphenyl)-5-(4-pyridyl)(1,2,4-triazol-3-ylt hio)]acetamideN-(3,4-DICHLOROPHENYL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDEN-(3,4-dichlorophenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
데이터베이스 식별자
- CAS
577695-77-3- PubChem CID
- 1988464
- EC Number
- 142-328-8
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 98 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 588
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