2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-(4-methoxyphenyl)-5-(4-nitrophenyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=S)N(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=S)N(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O3S/c1-28-19-13-11-17(12-14-19)24-21(29)23(16-5-3-2-4-6-16)20(22-24)15-7-9-18(10-8-15)25(26)27/h2-14H,1H3