2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(1,3-diphenyl-4-pyrazolyl)methylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[(1,3-diphenylpyrazol-4-yl)methylthio]-1-oxido-pyridin-1-ium Formula: C21H17N3OS MolecularWeight: 359.44418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3OS/c25-24-14-8-7-13-20(24)26-16-18-15-23(19-11-5-2-6-12-19)22-21(18)17-9-3-1-4-10-17/h1-15H,16H2