N-[(Z)-3-oxidanylidene-3-phenyl-2-pyridin-1-ium-1-yl-1-sulfanyl-prop-1-enyl]benzamide

Systemtic Name: N-[(Z)-3-oxidanylidene-3-phenyl-2-pyridin-1-ium-1-yl-1-sulfanyl-prop-1-enyl]benzamide Openeye Name: N-[(Z)-3-oxo-3-phenyl-2-pyridin-1-ium-1-yl-1-sulfanyl-prop-1-enyl]benzamide CAS Name: N-[(Z)-1-mercapto-3-oxo-3-phenyl-2-(1-pyridin-1-iumyl)prop-1-enyl]benzamide IUPAC Name: N-[(Z)-3-oxo-3-phenyl-2-pyridin-1-ium-1-yl-1-sulfanylprop-1-enyl]benzamide Traditional Name: N-[(Z)-3-keto-1-mercapto-3-phenyl-2-pyridin-1-ium-1-yl-prop-1-enyl]benzamide Formula: C21H17N2O2S+ MolecularWeight: 361.43688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=C(NC(=O)C2=CC=CC=C2)S)[N+]3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=C(\NC(=O)C2=CC=CC=C2)/S)/[N+]3=CC=CC=C3

InChI

InChI=1S/C21H16N2O2S/c24-19(16-10-4-1-5-11-16)18(23-14-8-3-9-15-23)21(26)22-20(25)17-12-6-2-7-13-17/h1-15H,(H-,22,24,25,26)/p+1