(E)-1-(4-methylphenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (E)-1-(4-methylphenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (E)-3-anilino-1-(p-tolyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (E)-3-anilino-3-mercapto-1-(4-methylphenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (E)-3-anilino-1-(4-methylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (E)-3-anilino-3-mercapto-1-(p-tolyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C21H19N2OS+ MolecularWeight: 347.45336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2)S)[N+]3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C(=C(/NC2=CC=CC=C2)\S)/[N+]3=CC=CC=C3

InChI

InChI=1S/C21H18N2OS/c1-16-10-12-17(13-11-16)20(24)19(23-14-6-3-7-15-23)21(25)22-18-8-4-2-5-9-18/h2-15H,1H3,(H-,22,24,25)/p+1