4-[[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazino]methyl]benzonitrile Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CNC3=S

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CNC3=S

InChI

InChI=1S/C18H18N4OS/c19-12-14-3-5-15(6-4-14)13-21-8-10-22(11-9-21)18(23)16-2-1-7-20-17(16)24/h1-7H,8-11,13H2,(H,20,24)