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

Systemtic Name: 6-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-[[3-methyl-4-(m-tolyl)piperazin-1-yl]methyl]-2-methylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]methyl]-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 6-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 6-[[3-methyl-4-(m-tolyl)piperazino]methyl]-2-(methylthio)nicotinonitrile Formula: C20H24N4S MolecularWeight: 352.49636

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)CC3=NC(=C(C=C3)C#N)SC

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)CC3=NC(=C(C=C3)C#N)SC

InChI

InChI=1S/C20H24N4S/c1-15-5-4-6-19(11-15)24-10-9-23(13-16(24)2)14-18-8-7-17(12-21)20(22-18)25-3/h4-8,11,16H,9-10,13-14H2,1-3H3