2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dichlorophenyl)-3-[(2-methylphenyl)amino]-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dichlorophenyl)-3-[(2-methylphenyl)amino]-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dichlorophenyl)-3-(2-methylanilino)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(3,4-dichlorophenyl)-3-mercapto-3-(2-methylanilino)-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dichlorophenyl)-3-(2-methylanilino)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dichlorophenyl)-3-mercapto-3-(o-toluidino)prop-2-en-1-one Formula: C25H25Cl2N2OS+ MolecularWeight: 472.4498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=C(C(=O)C2=CC(=C(C=C2)Cl)Cl)[N+]3=CC=C(C=C3)C(C)(C)C)S

Isomeric SMILES

CC1=CC=CC=C1NC(=C(C(=O)C2=CC(=C(C=C2)Cl)Cl)[N+]3=CC=C(C=C3)C(C)(C)C)S

InChI

InChI=1S/C25H24Cl2N2OS/c1-16-7-5-6-8-21(16)28-24(31)22(23(30)17-9-10-19(26)20(27)15-17)29-13-11-18(12-14-29)25(2,3)4/h5-15H,1-4H3,(H-,28,30,31)/p+1