ethyl 3-[2-(3-cyano-1,2,4-triazol-4-yl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(3-cyano-1,2,4-triazol-4-yl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(3-cyano-1,2,4-triazol-4-yl)acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-(3-cyano-1,2,4-triazol-4-yl)-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-cyano-1,2,4-triazol-4-yl)acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-(3-cyano-1,2,4-triazol-4-yl)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3C=NN=C3C#N

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3C=NN=C3C#N

InChI

InChI=1S/C18H15N5O3S/c1-2-26-18(25)17-13(8-14(27-17)12-6-4-3-5-7-12)21-16(24)10-23-11-20-22-15(23)9-19/h3-8,11H,2,10H2,1H3,(H,21,24)