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

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-chloro-2-methyl-anilino)-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(3-chloro-2-methylanilino)-3-mercapto-1-(4-phenylphenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3-chloro-2-methylanilino)-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(3-chloro-2-methyl-anilino)-3-mercapto-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C27H22ClN2OS+ MolecularWeight: 457.99438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=C(C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)[N+]4=CC=CC=C4)S

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=C(C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)[N+]4=CC=CC=C4)S

InChI

InChI=1S/C27H21ClN2OS/c1-19-23(28)11-8-12-24(19)29-27(32)25(30-17-6-3-7-18-30)26(31)22-15-13-21(14-16-22)20-9-4-2-5-10-20/h2-18H,1H3,(H-,29,31,32)/p+1