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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C14H15N5O3S2 MolecularWeight: 365.4306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NN=CN2C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NN=CN2C)C#N)C

InChI

InChI=1S/C14H15N5O3S2/c1-4-22-13(21)11-8(2)9(5-15)12(24-11)17-10(20)6-23-14-18-16-7-19(14)3/h7H,4,6H2,1-3H3,(H,17,20)