4-[[[1,1-bis(oxidanylidene)thian-4-yl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[1,1-bis(oxidanylidene)thian-4-yl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[(1,1-dioxothian-4-yl)amino]methyl]benzonitrile CAS Name: 4-[[(1,1-dioxo-4-thianyl)amino]methyl]benzonitrile IUPAC Name: 4-[[(1,1-dioxothian-4-yl)amino]methyl]benzonitrile Traditional Name: 4-[[(1,1-diketothian-4-yl)amino]methyl]benzonitrile Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CS(=O)(=O)CCC1NCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H16N2O2S/c14-9-11-1-3-12(4-2-11)10-15-13-5-7-18(16,17)8-6-13/h1-4,13,15H,5-8,10H2