2-(4-methylsulfonylphenyl)-3-phenyl-1H-1,2,4-triazol-5-one

Systemtic Name: 2-(4-methylsulfonylphenyl)-3-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 2-(4-methylsulfonylphenyl)-3-phenyl-1H-1,2,4-triazol-5-one CAS Name: 2-(4-methylsulfonylphenyl)-3-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 2-(4-methylsulfonylphenyl)-3-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 2-(4-mesylphenyl)-3-phenyl-1H-1,2,4-triazol-5-one Formula: C15H13N3O3S MolecularWeight: 315.34702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C(=NC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C(=NC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C15H13N3O3S/c1-22(20,21)13-9-7-12(8-10-13)18-14(16-15(19)17-18)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,19)