(E)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-anilino-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-anilino-2-(3-methyl-1-pyridin-1-iumyl)-1-(4-nitrophenyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-anilino-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-anilino-2-(3-methylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-thioxo-prop-1-en-1-olate Formula: C21H17N3O3S MolecularWeight: 391.44298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(C2=CC=C(C=C2)[N+](=O)[O-])[O-])C(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=C[N+](=CC=C1)/C(=C(\C2=CC=C(C=C2)[N+](=O)[O-])/[O-])/C(=S)NC3=CC=CC=C3

InChI

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