1-(4-aminophenyl)sulfanyl-4-methyl-1-phenyl-pentan-3-one hydrochloride

Systemtic Name: 1-(4-aminophenyl)sulfanyl-4-methyl-1-phenyl-pentan-3-one hydrochloride Openeye Name: 1-(4-aminophenyl)sulfanyl-4-methyl-1-phenyl-pentan-3-one hydrochloride CAS Name: 1-[(4-aminophenyl)thio]-4-methyl-1-phenyl-3-pentanone hydrochloride IUPAC Name: 1-(4-aminophenyl)sulfanyl-4-methyl-1-phenylpentan-3-one hydrochloride Traditional Name: 1-[(4-aminophenyl)thio]-4-methyl-1-phenyl-pentan-3-one hydrochloride Formula: C18H22ClNOS MolecularWeight: 335.89138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CC(C1=CC=CC=C1)SC2=CC=C(C=C2)N.Cl

Isomeric SMILES

CC(C)C(=O)CC(C1=CC=CC=C1)SC2=CC=C(C=C2)N.Cl

InChI

InChI=1S/C18H21NOS.ClH/c1-13(2)17(20)12-18(14-6-4-3-5-7-14)21-16-10-8-15(19)9-11-16;/h3-11,13,18H,12,19H2,1-2H3;1H