HIT ID: HIT100453344
Cas No: 302901-13-9
分子式: C12H9ClN6O2S
分子量: 336.75
常用名: RH01687
氢键受体数 (HBA): 8
氢键供体数 (HBD): 2
LogP: 1.86
IUPAC: 5-{[4-chloro-2-nitro-5-(1H-pyrrol-1-yl)phenyl]sulfanyl}-4H-1,2,4-triazol-3-amine
IUPAC: 5-{[4-chloro-2-nitro-5-(1H-pyrrol-1-yl)phenyl]sulfanyl}-4H-1,2,4-triazol-3-amine
SMILES: Nc1nnc(Sc2cc(c(Cl)cc2[N+]([O-])=O)-n2cccc2)[nH]1
SMILES: Nc1nnc(Sc2cc(c(Cl)cc2[N+]([O-])=O)-n2cccc2)[nH]1
InChI key: BOVTVNWNYFQVMI-UHFFFAOYSA-N
