6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 6-[[4-(2-chlorophenyl)piperazino]methyl]-2-(methylthio)nicotinonitrile Formula: C18H19ClN4S MolecularWeight: 358.88826

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=N1)CN2CCN(CC2)C3=CC=CC=C3Cl)C#N

Isomeric SMILES

CSC1=C(C=CC(=N1)CN2CCN(CC2)C3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C18H19ClN4S/c1-24-18-14(12-20)6-7-15(21-18)13-22-8-10-23(11-9-22)17-5-3-2-4-16(17)19/h2-7H,8-11,13H2,1H3