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

Systemtic Name: ethyl 2-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H24N4O4S2 MolecularWeight: 412.52686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=C(C=C(S2)CC)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=C(C=C(S2)CC)C(=O)OCC

InChI

InChI=1S/C17H24N4O4S2/c1-4-7-8-21-16(24)19-20-17(21)26-10-13(22)18-14-12(15(23)25-6-3)9-11(5-2)27-14/h9H,4-8,10H2,1-3H3,(H,18,22)(H,19,24)