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

Systemtic Name: ethyl 5-chloranyl-2-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-chloro-2-[[1-oxo-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-2-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-chloro-2-[[2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H21ClN4O4S2 MolecularWeight: 480.98814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O4S2/c1-3-10-25-19(28)23-24-20(25)30-11-13(26)22-17-15(18(27)29-4-2)14(16(21)31-17)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,22,26)(H,23,28)