(4-benzamidophenyl) 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: (4-benzamidophenyl) 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: (4-benzamidophenyl) 2-[[4-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid (4-benzamidophenyl) ester IUPAC Name: (4-benzamidophenyl) 2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-p-cumenyl-1,2,4-triazol-3-yl)thio]acetic acid (4-benzamidophenyl) ester Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C=NN=C2SCC(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24N4O3S/c1-18(2)19-8-12-22(13-9-19)30-17-27-29-26(30)34-16-24(31)33-23-14-10-21(11-15-23)28-25(32)20-6-4-3-5-7-20/h3-15,17-18H,16H2,1-2H3,(H,28,32)