3-methyl-5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-methyl-5-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C17H14N4OS MolecularWeight: 322.38426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=CC=CC=[N+]2[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=CC=CC=[N+]2[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H14N4OS/c1-13-15(11-18)16(12-23-17-9-5-6-10-20(17)22)21(19-13)14-7-3-2-4-8-14/h2-10H,12H2,1H3