3-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]methyl]quinoline

Systemtic Name: 3-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]methyl]quinoline Openeye Name: 3-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]methyl]quinoline CAS Name: 3-[[4-[2-(methylthio)phenyl]-1-piperazinyl]methyl]quinoline IUPAC Name: 3-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]methyl]quinoline Traditional Name: 3-[[4-[2-(methylthio)phenyl]piperazino]methyl]quinoline Formula: C21H23N3S MolecularWeight: 349.49242

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2CCN(CC2)CC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CSC1=CC=CC=C1N2CCN(CC2)CC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H23N3S/c1-25-21-9-5-4-8-20(21)24-12-10-23(11-13-24)16-17-14-18-6-2-3-7-19(18)22-15-17/h2-9,14-15H,10-13,16H2,1H3