4-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]methyl]benzonitrile Formula: C18H20N4O2S2 MolecularWeight: 388.507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H20N4O2S2/c1-21-8-10-22(11-9-21)26(23,24)17-6-7-18(20-13-17)25-14-16-4-2-15(12-19)3-5-16/h2-7,13H,8-11,14H2,1H3