(E)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-[4-(methylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-[4-(methylthio)phenyl]prop-2-en-1-one Formula: C21H23ClN2OS MolecularWeight: 386.93812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H23ClN2OS/c1-16-3-7-18(22)15-20(16)23-11-13-24(14-12-23)21(25)10-6-17-4-8-19(26-2)9-5-17/h3-10,15H,11-14H2,1-2H3/b10-6+