[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)azanium

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)azanium Openeye Name: benzhydryl-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[2-(cyanomethylthio)anilino]-2-oxoethyl]-(diphenylmethyl)ammonium IUPAC Name: benzhydryl-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]azanium Traditional Name: benzhydryl-[2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]ammonium Formula: C23H22N3OS+ MolecularWeight: 388.50528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]CC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]CC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C23H21N3OS/c24-15-16-28-21-14-8-7-13-20(21)26-22(27)17-25-23(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,23,25H,16-17H2,(H,26,27)/p+1