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

Systemtic Name: 4-[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CNC2=S)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CNC2=S)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H16N4O3S2/c18-12-13-3-5-14(6-4-13)26(23,24)21-10-8-20(9-11-21)17(22)15-2-1-7-19-16(15)25/h1-7H,8-11H2,(H,19,25)