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

Systemtic Name: 4-[4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2-phenylsulfanylpyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-(phenylthio)nicotinoyl]piperazino]sulfonylbenzonitrile Formula: C23H20N4O3S2 MolecularWeight: 464.5599

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H20N4O3S2/c24-17-18-8-10-20(11-9-18)32(29,30)27-15-13-26(14-16-27)23(28)21-7-4-12-25-22(21)31-19-5-2-1-3-6-19/h1-12H,13-16H2