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

Systemtic Name: 4-[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-(methylthio)nicotinoyl]piperazino]sulfonylbenzonitrile Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H18N4O3S2/c1-26-17-16(3-2-8-20-17)18(23)21-9-11-22(12-10-21)27(24,25)15-6-4-14(13-19)5-7-15/h2-8H,9-12H2,1H3