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

Systemtic Name: methyl 2-[2-(3-cyano-1,2,4-triazol-4-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-cyano-1,2,4-triazol-4-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-cyano-1,2,4-triazol-4-yl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-cyano-1,2,4-triazol-4-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-cyano-1,2,4-triazol-4-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C=NN=C2C#N)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C=NN=C2C#N)C

InChI

InChI=1S/C13H13N5O3S/c1-7-8(2)22-12(11(7)13(20)21-3)16-10(19)5-18-6-15-17-9(18)4-14/h6H,5H2,1-3H3,(H,16,19)