[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H19ClN3OS+ MolecularWeight: 360.88096

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C18H18ClN3OS/c1-22(11-13-3-7-16(24-2)8-4-13)12-18(23)21-17-9-15(19)6-5-14(17)10-20/h3-9H,11-12H2,1-2H3,(H,21,23)/p+1