3-[(2-chlorophenyl)-oxidanyl-methyl]-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2-chlorophenyl)-oxidanyl-methyl]-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-chlorophenyl)-hydroxy-methyl]-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-chlorophenyl)-hydroxymethyl]-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-chlorophenyl)-hydroxymethyl]-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(2-chlorophenyl)-hydroxy-methyl]-4-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Formula: C15H11ClN4O3S MolecularWeight: 362.79084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=NNC(=S)N2C3=CC=C(C=C3)[N+](=O)[O-])O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(C2=NNC(=S)N2C3=CC=C(C=C3)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C15H11ClN4O3S/c16-12-4-2-1-3-11(12)13(21)14-17-18-15(24)19(14)9-5-7-10(8-6-9)20(22)23/h1-8,13,21H,(H,18,24)