[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-[2-(cyanomethylthio)anilino]-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl]-methyl-(3-thenyl)ammonium Formula: C16H18N3OS2+ MolecularWeight: 332.46362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC(=O)NC2=CC=CC=C2SCC#N

InChI

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