(5Z)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide
기본 정보
- CAS
879451-32-8- 표준 SMILES
CSc1nnc(NC(=O)c2cc(-c3cc(C)cc(C)c3O)[nH]n2)s1- InChIKey
MYLHVDSMXQVSJY-UHFFFAOYSA-N- 분자식
- C15H15N5O2S2
- 평균 분자량
- 361.4 g/mol
이름 및 식별자
- 우선 이름
- (5Z)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamide
- IUPAC
- 3-(2-hydroxy-3,5-dimethylphenyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
- 영어명
- 3-(2-hydroxy-3,5-dimethylphenyl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-5-carboxamide
- 분자식
- C15H15N5O2S2
- 분자량
- 361.44
이름 및 동의어
879451-32-83-(2-Hydroxy-3,5-dimethylphenyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamideSTK584736AKOS002269062AKOS005507631(5Z)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-dihydropyrazole-3-carboxamideZ12136715743-(2-hydroxy-3,5-dimethylphenyl)-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide5-(2-hydroxy-3,5-dimethylphenyl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide1H-Pyrazole-3-carboxamide, 5-(2-hydroxy-3,5-dimethylphenyl)-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-3-(2-hydroxy-3,5-dimethylphenyl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-5-carboxamide
데이터베이스 식별자
- CAS
879451-32-8
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 157 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 458
관련 반응
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