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

Systemtic Name: propan-2-yl 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)OC(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)OC(C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3O2S/c1-14(2)26-19(25)13-27-21-23-22-20(17-8-6-5-7-9-17)24(21)18-11-10-15(3)16(4)12-18/h5-12,14H,13H2,1-4H3