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

Systemtic Name: 4-[5-phenyl-4-(4-propan-2-ylphenyl)sulfonyl-1,2,3-triazol-1-yl]benzoate Openeye Name: 4-[4-(4-isopropylphenyl)sulfonyl-5-phenyl-triazol-1-yl]benzoate CAS Name: 4-[5-phenyl-4-(4-propan-2-ylphenyl)sulfonyl-1-triazolyl]benzoate IUPAC Name: 4-[5-phenyl-4-(4-propan-2-ylphenyl)sulfonyltriazol-1-yl]benzoate Traditional Name: 4-(4-p-cumenylsulfonyl-5-phenyl-triazol-1-yl)benzoate Formula: C24H20N3O4S- MolecularWeight: 446.4983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O4S/c1-16(2)17-10-14-21(15-11-17)32(30,31)23-22(18-6-4-3-5-7-18)27(26-25-23)20-12-8-19(9-13-20)24(28)29/h3-16H,1-2H3,(H,28,29)/p-1