N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=C[N+](=CC=C3)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=C[N+](=CC=C3)[O-])C

InChI

InChI=1S/C20H18N2O2S/c1-14-5-8-19(12-15(14)2)25-18-9-6-17(7-10-18)21-20(23)16-4-3-11-22(24)13-16/h3-13H,1-2H3,(H,21,23)