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

Systemtic Name: ethyl 4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate Traditional Name: 3-keto-4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NN=C(N1C2=CC=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NN=C(N1C2=CC=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-3-28-19(26)13-16(25)14-29-21-23-22-20(15-9-5-4-6-10-15)24(21)17-11-7-8-12-18(17)27-2/h4-12H,3,13-14H2,1-2H3