4-(3-chloranyl-4-fluoranyl-phenyl)-3-[(phenylmethylsulfanyl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)-3-[(phenylmethylsulfanyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(benzylsulfanylmethyl)-4-(3-chloro-4-fluoro-phenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-chloro-4-fluorophenyl)-3-[(phenylmethylthio)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(benzylsulfanylmethyl)-4-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(benzylthio)methyl]-4-(3-chloro-4-fluoro-phenyl)-1H-1,2,4-triazole-5-thione Formula: C16H13ClFN3S2 MolecularWeight: 365.875923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=NNC(=S)N2C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=NNC(=S)N2C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C16H13ClFN3S2/c17-13-8-12(6-7-14(13)18)21-15(19-20-16(21)22)10-23-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,20,22)