4-(3-methoxyphenyl)-5-(5-nitrothiophen-2-yl)-2-phenyl-1,2,4-triazol-3-one

Systemtic Name: 4-(3-methoxyphenyl)-5-(5-nitrothiophen-2-yl)-2-phenyl-1,2,4-triazol-3-one Openeye Name: 4-(3-methoxyphenyl)-5-(5-nitro-2-thienyl)-2-phenyl-1,2,4-triazol-3-one CAS Name: 4-(3-methoxyphenyl)-5-(5-nitro-2-thiophenyl)-2-phenyl-1,2,4-triazol-3-one IUPAC Name: 4-(3-methoxyphenyl)-5-(5-nitrothiophen-2-yl)-2-phenyl-1,2,4-triazol-3-one Traditional Name: 4-(3-methoxyphenyl)-5-(5-nitro-2-thienyl)-2-phenyl-1,2,4-triazol-3-one Formula: C19H14N4O4S MolecularWeight: 394.40386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O4S/c1-27-15-9-5-8-14(12-15)21-18(16-10-11-17(28-16)23(25)26)20-22(19(21)24)13-6-3-2-4-7-13/h2-12H,1H3