主记录
YSCQZXVVEGYVPM-UHFFFAOYSA-N
- CAS
- 927638-53-7
- PubChem CID
- 15942987
- SMILES
- COC(=O)C1=C(N=CC=C1)SC2=NN=NN2C3=CC=CC=C3
- 分子式
- C14H11N5O2S
- 分子量
- 313.342
- 精确分子量
- 313.0633
- InChI
- InChI=1S/C14H11N5O2S/c1-21-13(20)11-8-5-9-15-12(11)22-14-16-17-18-19(14)10-6-3-2-4-7-10/h2-9H,1H3
- InChIKey
- YSCQZXVVEGYVPM-UHFFFAOYSA-N
- LogP
- 1.9951
- TPSA
- 82.79
名称与别名
- YSCQZXVVEGYVPM-UHFFFAOYSA-N
- ZINC8716982
- methyl 2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]nicotinate
- AI-204/34842003
- methyl 2-(1-phenyltetrazol-5-yl)sulfanylpyridine-3-carboxylate
- 927638-53-7