3-Phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
기본 정보
- CAS
498561-52-7- 표준 SMILES
c1ccc(-c2noc(CSc3nnnn3-c3ccccc3)n2)cc1- InChIKey
AIWGSZGJPSCRBJ-UHFFFAOYSA-N- 분자식
- C16H12N6OS
- 평균 분자량
- 336.4 g/mol
이름 및 식별자
- 우선 이름
- 3-Phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
- IUPAC
- 3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
- 영어명
- 1-phenyl-5-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-1H-tetraazole
- 분자식
- C16H12N6OS
- 분자량
- 336.37
이름 및 동의어
MLS0001144513-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole498561-52-7SMR0000918371-phenyl-5-[(3-phenyl(1,2,4-oxadiazol-5-yl))methylthio]-1,2,3,4-tetraazoleCambridge id 7114358cid_707117CHEMBL1477529REGID_for_CID_707117BDBM77057HMS2250A14STK825859
이름 더 보기
1H-Tetrazole, 1-phenyl-5-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thio]-
1-phenyl-5-{[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-1H-tetraazoleAKOS001365302ST056728AO-081/40905428Z196577143-phenyl-5-(((1-phenyl-1H-tetrazol-5-yl)thio)methyl)-1,2,4-oxadiazole3-phenyl-5-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,2,4-oxadiazole3-phenyl-5-[[(1-phenyltetrazol-5-yl)thio]methyl]-1,2,4-oxadiazole
데이터베이스 식별자
- CAS
498561-52-7- ChEMBL
CHEMBL1477529
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 391
관련 반응
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