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

Systemtic Name: 4-azanyl-3-[2-(4-chlorophenyl)-3-(phenylmethyl)sulfonyl-propyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-amino-3-[3-benzylsulfonyl-2-(4-chlorophenyl)propyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-amino-3-[2-(4-chlorophenyl)-3-(phenylmethyl)sulfonylpropyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-amino-3-[3-benzylsulfonyl-2-(4-chlorophenyl)propyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-amino-3-[3-benzylsulfonyl-2-(4-chlorophenyl)propyl]-1H-1,2,4-triazole-5-thione Formula: C18H19ClN4O2S2 MolecularWeight: 422.95206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O2S2/c19-16-8-6-14(7-9-16)15(10-17-21-22-18(26)23(17)20)12-27(24,25)11-13-4-2-1-3-5-13/h1-9,15H,10-12,20H2,(H,22,26)