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

Systemtic Name: 1-(4-chlorophenyl)-1-ethylsulfanyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one Openeye Name: 1-(4-chlorophenyl)-1-ethylsulfanyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one CAS Name: 1-(4-chlorophenyl)-1-(ethylthio)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-3-pentanone IUPAC Name: 1-(4-chlorophenyl)-1-ethylsulfanyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one Traditional Name: 1-(4-chlorophenyl)-1-(ethylthio)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one Formula: C17H22ClN3OS MolecularWeight: 351.89408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3OS/c1-5-23-15(12-6-8-13(18)9-7-12)14(16(22)17(2,3)4)21-11-19-10-20-21/h6-11,14-15H,5H2,1-4H3