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

Systemtic Name: 2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylthio]-1-oxido-pyridin-1-ium Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CSC3=CC=CC=[N+]3[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CSC3=CC=CC=[N+]3[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S/c1-27-20-12-10-17(11-13-20)22-18(16-28-21-9-5-6-14-25(21)26)15-24(23-22)19-7-3-2-4-8-19/h2-15H,16H2,1H3