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

Systemtic Name: 2-[(3-chlorophenyl)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 2-[(3-chlorophenyl)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 2-[(3-chlorophenyl)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 2-[(3-chlorophenyl)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 2-(3-chlorobenzyl)-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thione Formula: C15H11ClN4O2S MolecularWeight: 346.79144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CN2C(=NC(=S)N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CN2C(=NC(=S)N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11ClN4O2S/c16-12-3-1-2-10(8-12)9-19-14(17-15(23)18-19)11-4-6-13(7-5-11)20(21)22/h1-8H,9H2,(H,18,23)