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

Systemtic Name: ethyl 4-methyl-5-phenyl-2-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-phenyl-2-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-phenyl-2-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-phenyl-2-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)NC2=C(C(=C(S2)C3=CC=CC=C3)C)C(=O)OCC

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)NC2=C(C(=C(S2)C3=CC=CC=C3)C)C(=O)OCC

InChI

InChI=1S/C21H24N4O3S2/c1-4-9-15-22-21(25-24-15)29-12-16(26)23-19-17(20(27)28-5-2)13(3)18(30-19)14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,23,26)(H,22,24,25)