4-[[4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(phenylthio)nicotinoyl]piperazino]methyl]benzonitrile Formula: C24H22N4OS MolecularWeight: 414.52268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C24H22N4OS/c25-17-19-8-10-20(11-9-19)18-27-13-15-28(16-14-27)24(29)22-7-4-12-26-23(22)30-21-5-2-1-3-6-21/h1-12H,13-16,18H2