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

Systemtic Name: propan-2-yl 2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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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=NC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c1-13(2)26-18(25)12-27-20-23-22-19(16-7-9-21-10-8-16)24(20)17-6-5-14(3)15(4)11-17/h5-11,13H,12H2,1-4H3