ethyl 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetate CAS Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetate Traditional Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-acetic acid ethyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=CN2C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=CN2C3=CC=CC=C3C

InChI

InChI=1S/C19H19N3O2S/c1-3-24-18(23)17(15-10-5-4-6-11-15)25-19-21-20-13-22(19)16-12-8-7-9-14(16)2/h4-13,17H,3H2,1-2H3