(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)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 (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)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 (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C22H17N5O4S2 MolecularWeight: 479.53148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N5O4S2/c1-2-30-21(28)17-15(14(11-23)18(24)33-17)12-31-22(29)19-25-20(16-9-6-10-32-16)27(26-19)13-7-4-3-5-8-13/h3-10H,2,12,24H2,1H3