ethyl 4-[[5-(2-azanyl-5-phenyl-thiophen-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[5-(2-azanyl-5-phenyl-thiophen-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[5-(2-amino-5-phenyl-3-thienyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[5-(2-amino-5-phenyl-3-thiophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(2-amino-5-phenylthiophen-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate Traditional Name: 4-[[5-(2-amino-5-phenyl-3-thienyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-3-keto-butyric acid ethyl ester Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)CC(=O)OCC)C2=C(SC(=C2)C3=CC=CC=C3)N

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)CC(=O)OCC)C2=C(SC(=C2)C3=CC=CC=C3)N

InChI

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