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

Systemtic Name: methyl 5-ethyl-2-[2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[2-[[4-isopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[[4-isopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H22N4O3S3 MolecularWeight: 450.59798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2C(C)C)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2C(C)C)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C19H22N4O3S3/c1-5-12-9-13(18(25)26-4)17(29-12)20-15(24)10-28-19-22-21-16(23(19)11(2)3)14-7-6-8-27-14/h6-9,11H,5,10H2,1-4H3,(H,20,24)