3-(3-chlorophenyl)imino-1-(4-methylphenyl)-3-pyridin-1-ium-1-yl-2-sulfanyl-prop-1-en-1-olate

Systemtic Name: 3-(3-chlorophenyl)imino-1-(4-methylphenyl)-3-pyridin-1-ium-1-yl-2-sulfanyl-prop-1-en-1-olate Openeye Name: 3-(3-chlorophenyl)imino-1-(p-tolyl)-3-pyridin-1-ium-1-yl-2-sulfanyl-prop-1-en-1-olate CAS Name: 3-(3-chlorophenyl)imino-2-mercapto-1-(4-methylphenyl)-3-(1-pyridin-1-iumyl)-1-propen-1-olate IUPAC Name: 3-(3-chlorophenyl)imino-1-(4-methylphenyl)-3-pyridin-1-ium-1-yl-2-sulfanylprop-1-en-1-olate Traditional Name: 3-(3-chlorophenyl)imino-2-mercapto-1-(p-tolyl)-3-pyridin-1-ium-1-yl-prop-1-en-1-olate Formula: C21H17ClN2OS MolecularWeight: 380.89048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2OS/c1-15-8-10-16(11-9-15)19(25)20(26)21(24-12-3-2-4-13-24)23-18-7-5-6-17(22)14-18/h2-14H,1H3,(H-,23,25,26)