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

Systemtic Name: 4-(4-bromanyl-2-chloranyl-phenyl)-3-[(phenylmethylsulfanyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(benzylsulfanylmethyl)-4-(4-bromo-2-chloro-phenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-bromo-2-chlorophenyl)-3-[(phenylmethylthio)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(benzylsulfanylmethyl)-4-(4-bromo-2-chlorophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(benzylthio)methyl]-4-(4-bromo-2-chloro-phenyl)-1H-1,2,4-triazole-5-thione Formula: C16H13BrClN3S2 MolecularWeight: 426.78152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrClN3S2/c17-12-6-7-14(13(18)8-12)21-15(19-20-16(21)22)10-23-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,20,22)