methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium

Systemtic Name: methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium Openeye Name: methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-[(5-phenylisoxazol-3-yl)methyl]ammonium CAS Name: methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]-[(5-phenyl-3-isoxazolyl)methyl]ammonium IUPAC Name: methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium Traditional Name: [2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-[(5-phenylisoxazol-3-yl)methyl]ammonium Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NOC(=C1)C2=CC=CC=C2)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

C[NH+](CC1=NOC(=C1)C2=CC=CC=C2)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C20H21N3O2S/c1-23(14-20(24)21-17-10-6-7-11-19(17)26-2)13-16-12-18(25-22-16)15-8-4-3-5-9-15/h3-12H,13-14H2,1-2H3,(H,21,24)/p+1