[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-[2-(phenylmethylsulfanyl)phenyl]methanone

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-[2-(phenylmethylsulfanyl)phenyl]methanone Openeye Name: (2-benzylsulfanylphenyl)-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methanone CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazinyl]-[2-(phenylmethylthio)phenyl]methanone IUPAC Name: (2-benzylsulfanylphenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone Traditional Name: [2-(benzylthio)phenyl]-[4-(5-chloro-2-methyl-phenyl)piperazino]methanone Formula: C25H25ClN2OS MolecularWeight: 436.9968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC4=CC=CC=C4

InChI

InChI=1S/C25H25ClN2OS/c1-19-11-12-21(26)17-23(19)27-13-15-28(16-14-27)25(29)22-9-5-6-10-24(22)30-18-20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3