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

Systemtic Name: ethyl 5-phenyl-3-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-phenyl-3-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-3-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-phenyl-3-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C20H22N4O3S2/c1-3-8-16-22-20(24-23-16)28-12-17(25)21-14-11-15(13-9-6-5-7-10-13)29-18(14)19(26)27-4-2/h5-7,9-11H,3-4,8,12H2,1-2H3,(H,21,25)(H,22,23,24)