3-cyanopropyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: 3-cyanopropyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: 3-cyanopropyl 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 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 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 3-cyanopropyl ester Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCCCC#N)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCCCC#N)C3=CC=CS3

InChI

InChI=1S/C17H14N4O2S/c18-10-4-5-11-23-17(22)15-19-16(14-9-6-12-24-14)21(20-15)13-7-2-1-3-8-13/h1-3,6-9,12H,4-5,11H2