ethyl 2-[3-(3-cyano-1,2,4-triazol-1-yl)propanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(3-cyano-1,2,4-triazol-1-yl)propanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3-cyano-1,2,4-triazol-1-yl)propanoylamino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[3-(3-cyano-1,2,4-triazol-1-yl)-1-oxopropyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-cyano-1,2,4-triazol-1-yl)propanoylamino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[3-(3-cyano-1,2,4-triazol-1-yl)propanoylamino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C17H15N5O3S2 MolecularWeight: 401.4627

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CCN3C=NC(=N3)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CCN3C=NC(=N3)C#N

InChI

InChI=1S/C17H15N5O3S2/c1-2-25-17(24)15-11(12-4-3-7-26-12)9-27-16(15)20-14(23)5-6-22-10-19-13(8-18)21-22/h3-4,7,9-10H,2,5-6H2,1H3,(H,20,23)