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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[2-[[4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[2-[[4-methyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[2-[[4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H21N5O3S2 MolecularWeight: 431.53174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=N3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2C)C3=CC=CC=N3)C

InChI

InChI=1S/C19H21N5O3S2/c1-5-12-11(2)29-17(15(12)18(26)27-4)21-14(25)10-28-19-23-22-16(24(19)3)13-8-6-7-9-20-13/h6-9H,5,10H2,1-4H3,(H,21,25)