4-[5-(4-methylphenyl)-4-(4-propan-2-ylphenyl)sulfonyl-1,2,3-triazol-1-yl]benzoate

Systemtic Name: 4-[5-(4-methylphenyl)-4-(4-propan-2-ylphenyl)sulfonyl-1,2,3-triazol-1-yl]benzoate Openeye Name: 4-[4-(4-isopropylphenyl)sulfonyl-5-(p-tolyl)triazol-1-yl]benzoate CAS Name: 4-[5-(4-methylphenyl)-4-(4-propan-2-ylphenyl)sulfonyl-1-triazolyl]benzoate IUPAC Name: 4-[5-(4-methylphenyl)-4-(4-propan-2-ylphenyl)sulfonyltriazol-1-yl]benzoate Traditional Name: 4-[4-p-cumenylsulfonyl-5-(p-tolyl)triazol-1-yl]benzoate Formula: C25H22N3O4S- MolecularWeight: 460.52488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NN2C3=CC=C(C=C3)C(=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NN2C3=CC=C(C=C3)C(=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C25H23N3O4S/c1-16(2)18-10-14-22(15-11-18)33(31,32)24-23(19-6-4-17(3)5-7-19)28(27-26-24)21-12-8-20(9-13-21)25(29)30/h4-16H,1-3H3,(H,29,30)/p-1