2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H15N3O2S/c20-15(12-22-16-8-4-5-10-19(16)21)18-11-9-14(17-18)13-6-2-1-3-7-13/h1-8,10H,9,11-12H2