2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]methylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)benzyl]thio]-1-oxido-pyridin-1-ium Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)CSC3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)CSC3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C17H17N3OS/c1-13-11-14(2)20(18-13)16-8-6-15(7-9-16)12-22-17-5-3-4-10-19(17)21/h3-11H,12H2,1-2H3