2-[4-[4-(2-methyl-2-nitrososulfanyl-propyl)piperazin-1-yl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[4-(2-methyl-2-nitrososulfanyl-propyl)piperazin-1-yl]phenyl]ethanenitrile Openeye Name: 2-[4-[4-(2-methyl-2-nitrososulfanyl-propyl)piperazin-1-yl]phenyl]acetonitrile CAS Name: 1-[4-[4-(cyanomethyl)phenyl]-1-piperazinyl]-2-methyl-N-oxo-2-propanesulfenamide IUPAC Name: 2-[4-[4-(2-methyl-2-nitrososulfanylpropyl)piperazin-1-yl]phenyl]acetonitrile Traditional Name: 2-[4-[4-[2-methyl-2-(nitrosothio)propyl]piperazino]phenyl]acetonitrile Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCN(CC1)C2=CC=C(C=C2)CC#N)SN=O

Isomeric SMILES

CC(C)(CN1CCN(CC1)C2=CC=C(C=C2)CC#N)SN=O

InChI

InChI=1S/C16H22N4OS/c1-16(2,22-18-21)13-19-9-11-20(12-10-19)15-5-3-14(4-6-15)7-8-17/h3-6H,7,9-13H2,1-2H3