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

Systemtic Name: 3-[5-methyl-4-(4-propan-2-ylphenyl)sulfonyl-1,2,3-triazol-1-yl]benzoate Openeye Name: 3-[4-(4-isopropylphenyl)sulfonyl-5-methyl-triazol-1-yl]benzoate CAS Name: 3-[5-methyl-4-(4-propan-2-ylphenyl)sulfonyl-1-triazolyl]benzoate IUPAC Name: 3-[5-methyl-4-(4-propan-2-ylphenyl)sulfonyltriazol-1-yl]benzoate Traditional Name: 3-(5-methyl-4-p-cumenylsulfonyl-triazol-1-yl)benzoate Formula: C19H18N3O4S- MolecularWeight: 384.42892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC=CC(=C2)C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(N=NN1C2=CC=CC(=C2)C(=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C19H19N3O4S/c1-12(2)14-7-9-17(10-8-14)27(25,26)18-13(3)22(21-20-18)16-6-4-5-15(11-16)19(23)24/h4-12H,1-3H3,(H,23,24)/p-1