propan-2-yl 4-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: propan-2-yl 4-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[[4-phenyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-phenyl-5-(tosylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid isopropyl ester Formula: C27H27N3O4S2 MolecularWeight: 521.65098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)OC(C)C

InChI

InChI=1S/C27H27N3O4S2/c1-19(2)34-26(31)22-13-11-21(12-14-22)17-35-27-29-28-25(30(27)23-7-5-4-6-8-23)18-36(32,33)24-15-9-20(3)10-16-24/h4-16,19H,17-18H2,1-3H3