(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C21H24ClN4OS+ MolecularWeight: 415.95946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+](C)CC(=O)NC2=CC=CC=C2SC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C[NH+](C)CC(=O)NC2=CC=CC=C2SC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN4OS/c1-15-17(21(22)26(24-15)16-9-5-4-6-10-16)13-25(2)14-20(27)23-18-11-7-8-12-19(18)28-3/h4-12H,13-14H2,1-3H3,(H,23,27)/p+1