기본 정보
- CAS
650593-04-7- 표준 SMILES
Cc1n[nH]c(=S)n1CC(=O)n1c2c(c3ccccc31)CCCC2- InChIKey
AFLQFUGONQXDBP-UHFFFAOYSA-N- 분자식
- C17H18N4OS
- 평균 분자량
- 326.4 g/mol
이름 및 식별자
- 우선 이름
- 2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
- IUPAC
- 2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
- 영어명
- 2-(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone
- 분자식
- C17H18N4OS
- 분자량
- 326.42
이름 및 동의어
650593-04-72-(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanoneHMS1692E19STK138651STK846764AKOS000627227AKOS005627466ST50280423AJ-292/420320411-(3,4-dihydro-1H-carbazol-9(2H)-yl)-2-(3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)ethanone2-(3-methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone
이름 더 보기
Ethanone, 2-(1,5-dihydro-3-methyl-5-thioxo-4H-1,2,4-triazol-4-yl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)-
2-(5-methyl-3-sulfanyl(1,2,4-triazol-4-yl))-1-(5,6,7,8,9-pentahydro-4aH-carbaz ol-9-yl)ethan-1-one5-methyl-4-[2-oxo-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethyl]-4H-1,2,4-triazole-3-thiol
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 81.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 549
화학 및 산업
공급사4 곳
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