3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-chloro-2-methyl-anilino)-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(3-chloro-2-methylanilino)-1-(4-ethylphenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3-chloro-2-methylanilino)-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(3-chloro-2-methyl-anilino)-1-(4-ethylphenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C23H22ClN2OS+ MolecularWeight: 409.95158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=C(C(=CC=C2)Cl)C)S)[N+]3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=C(C(=CC=C2)Cl)C)S)[N+]3=CC=CC=C3

InChI

InChI=1S/C23H21ClN2OS/c1-3-17-10-12-18(13-11-17)22(27)21(26-14-5-4-6-15-26)23(28)25-20-9-7-8-19(24)16(20)2/h4-15H,3H2,1-2H3,(H-,25,27,28)/p+1