[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [2-[2-(cyanomethylthio)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]-methyl-(2-thenyl)ammonium Formula: C16H18N3OS2+ MolecularWeight: 332.46362

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CS1)CC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

C[NH+](CC1=CC=CS1)CC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C16H17N3OS2/c1-19(11-13-5-4-9-21-13)12-16(20)18-14-6-2-3-7-15(14)22-10-8-17/h2-7,9H,10-12H2,1H3,(H,18,20)/p+1