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

Systemtic Name: ethyl 2-[2-(3-cyano-1,2,4-triazol-1-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-cyano-1,2,4-triazol-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-cyano-1,2,4-triazol-1-yl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-cyano-1,2,4-triazol-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-cyano-1,2,4-triazol-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C=NC(=N2)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2C=NC(=N2)C#N

InChI

InChI=1S/C14H15N5O3S/c1-4-22-14(21)12-8(2)9(3)23-13(12)17-11(20)6-19-7-16-10(5-15)18-19/h7H,4,6H2,1-3H3,(H,17,20)