(Z)-3-[(3-methylphenyl)amino]-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-3-[(3-methylphenyl)amino]-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-(3-methylanilino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-3-(3-methylanilino)-1-(4-nitrophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-3-(3-methylanilino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-3-(m-toluidino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S/c1-15-6-5-7-17(14-15)22-21(28)19(23-12-3-2-4-13-23)20(25)16-8-10-18(11-9-16)24(26)27/h2-14H,1H3,(H-,22,25,28)