4-azanyl-3-[2-(4-chlorophenyl)-3-(phenylsulfonyl)propyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-azanyl-3-[2-(4-chlorophenyl)-3-(phenylsulfonyl)propyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-amino-3-[3-(benzenesulfonyl)-2-(4-chlorophenyl)propyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-amino-3-[3-(benzenesulfonyl)-2-(4-chlorophenyl)propyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-amino-3-[3-(benzenesulfonyl)-2-(4-chlorophenyl)propyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-amino-3-[3-besyl-2-(4-chlorophenyl)propyl]-1H-1,2,4-triazole-5-thione Formula: C17H17ClN4O2S2 MolecularWeight: 408.92548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC(CC2=NNC(=S)N2N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC(CC2=NNC(=S)N2N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H17ClN4O2S2/c18-14-8-6-12(7-9-14)13(10-16-20-21-17(25)22(16)19)11-26(23,24)15-4-2-1-3-5-15/h1-9,13H,10-11,19H2,(H,21,25)