3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(5-chloranylthiophen-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(5-chloranylthiophen-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-chloro-2-methyl-anilino)-1-(5-chloro-2-thienyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(3-chloro-2-methylanilino)-1-(5-chloro-2-thiophenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3-chloro-2-methylanilino)-1-(5-chlorothiophen-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(3-chloro-2-methyl-anilino)-1-(5-chloro-2-thienyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C19H15Cl2N2OS2+ MolecularWeight: 422.3712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3)S

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C19H14Cl2N2OS2/c1-12-13(20)6-5-7-14(12)22-19(25)17(23-10-3-2-4-11-23)18(24)15-8-9-16(21)26-15/h2-11H,1H3,(H-,22,24,25)/p+1