methyl 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: methyl 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetate CAS Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetate Traditional Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-2-phenyl-acetic acid methyl ester Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3O2S/c1-17-14-15-21(16-18(17)2)28-23(20-12-8-5-9-13-20)26-27-25(28)31-22(24(29)30-3)19-10-6-4-7-11-19/h4-16,22H,1-3H3