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

Systemtic Name: 2-methylsulfanyl-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]pyridine-3-carbonitrile Openeye Name: 6-[(4-benzylpiperazin-1-yl)methyl]-2-methylsulfanyl-pyridine-3-carbonitrile CAS Name: 2-(methylthio)-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3-pyridinecarbonitrile IUPAC Name: 6-[(4-benzylpiperazin-1-yl)methyl]-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 6-[(4-benzylpiperazino)methyl]-2-(methylthio)nicotinonitrile Formula: C19H22N4S MolecularWeight: 338.46978

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=N1)CN2CCN(CC2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CSC1=C(C=CC(=N1)CN2CCN(CC2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H22N4S/c1-24-19-17(13-20)7-8-18(21-19)15-23-11-9-22(10-12-23)14-16-5-3-2-4-6-16/h2-8H,9-12,14-15H2,1H3