(4-aminocarbonyl-2-nitro-phenyl)methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H15N5O5S MolecularWeight: 449.4393

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C21H15N5O5S/c22-18(27)13-8-9-14(16(11-13)26(29)30)12-31-21(28)19-23-20(17-7-4-10-32-17)25(24-19)15-5-2-1-3-6-15/h1-11H,12H2,(H2,22,27)