2-[4-[4-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[4-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-[(methylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[4-[(methylthio)methyl]benzoyl]piperazino]isonicotinonitrile Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C19H20N4OS/c1-25-14-15-2-4-17(5-3-15)19(24)23-10-8-22(9-11-23)18-12-16(13-20)6-7-21-18/h2-7,12H,8-11,14H2,1H3