2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-1-oxido-pyridin-1-ium Formula: C16H14ClN3OS MolecularWeight: 331.81986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC2=CC=CC=[N+]2[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1CSC2=CC=CC=[N+]2[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H14ClN3OS/c1-12-14(11-22-15-9-5-6-10-19(15)21)16(17)20(18-12)13-7-3-2-4-8-13/h2-10H,11H2,1H3