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

Systemtic Name: 5-(5-nitrothiophen-2-yl)-2,4-diphenyl-1,2,4-triazol-3-one Openeye Name: 5-(5-nitro-2-thienyl)-2,4-diphenyl-1,2,4-triazol-3-one CAS Name: 5-(5-nitro-2-thiophenyl)-2,4-diphenyl-1,2,4-triazol-3-one IUPAC Name: 5-(5-nitrothiophen-2-yl)-2,4-diphenyl-1,2,4-triazol-3-one Traditional Name: 5-(5-nitro-2-thienyl)-2,4-diphenyl-1,2,4-triazol-3-one Formula: C18H12N4O3S MolecularWeight: 364.37788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N4O3S/c23-18-20(13-7-3-1-4-8-13)17(15-11-12-16(26-15)22(24)25)19-21(18)14-9-5-2-6-10-14/h1-12H