[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(2-cyanoanilino)-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(2-cyanoanilino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H20N3OS+ MolecularWeight: 326.4359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C18H19N3OS/c1-21(12-14-7-9-16(23-2)10-8-14)13-18(22)20-17-6-4-3-5-15(17)11-19/h3-10H,12-13H2,1-2H3,(H,20,22)/p+1