(E)-3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(3-chloro-2-methyl-anilino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(3-chloro-2-methylanilino)-1-(4-methyl-3-nitrophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(3-chloro-2-methylanilino)-1-(4-methyl-3-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(3-chloro-2-methyl-anilino)-1-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C22H18ClN3O3S MolecularWeight: 439.91462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O3S/c1-14-9-10-16(13-19(14)26(28)29)21(27)20(25-11-4-3-5-12-25)22(30)24-18-8-6-7-17(23)15(18)2/h3-13H,1-2H3,(H-,24,27,30)