2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(4-chloranyl-3-methyl-phenyl)amino]-1-(4-chlorophenyl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(4-chloranyl-3-methyl-phenyl)amino]-1-(4-chlorophenyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-chloro-3-methyl-anilino)-1-(4-chlorophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(4-chloro-3-methylanilino)-1-(4-chlorophenyl)-3-mercapto-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-chloro-3-methylanilino)-1-(4-chlorophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-chloro-3-methyl-anilino)-1-(4-chlorophenyl)-3-mercapto-prop-2-en-1-one Formula: C25H25Cl2N2OS+ MolecularWeight: 472.4498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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