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

Systemtic Name: ethyl 4-cyano-5-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C15H17N5O3S2 MolecularWeight: 379.45718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N

InChI

InChI=1S/C15H17N5O3S2/c1-4-10-17-15(20-19-10)24-7-11(21)18-13-9(6-16)8(3)12(25-13)14(22)23-5-2/h4-5,7H2,1-3H3,(H,18,21)(H,17,19,20)