1-(4-chlorophenyl)sulfonyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one Openeye Name: 1-(4-chlorophenyl)sulfonyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one CAS Name: 1-(4-chlorophenyl)sulfonyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-3-pentanone IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one Traditional Name: 1-(4-chlorophenyl)sulfonyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one Formula: C15H18ClN3O3S MolecularWeight: 355.83972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O3S/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-23(21,22)12-6-4-11(16)5-7-12/h4-7,9-10,13H,8H2,1-3H3