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

Systemtic Name: ethyl 4-methyl-2-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)NC2=C(C(=C(S2)C3=CC=CC=C3)C)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)NC2=C(C(=C(S2)C3=CC=CC=C3)C)C(=O)OCC

InChI

InChI=1S/C21H24N4O4S2/c1-4-11-25-20(28)23-24-21(25)30-12-15(26)22-18-16(19(27)29-5-2)13(3)17(31-18)14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H,22,26)(H,23,28)