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

Systemtic Name: 1-(4-tert-butylphenyl)-3-[(3-chloranyl-2-methyl-phenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-tert-butylphenyl)-3-(3-chloro-2-methyl-anilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-tert-butylphenyl)-3-(3-chloro-2-methylanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-tert-butylphenyl)-3-(3-chloro-2-methylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-tert-butylphenyl)-3-(3-chloro-2-methyl-anilino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C25H26ClN2OS+ MolecularWeight: 438.00474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN2OS/c1-17-20(26)9-8-10-21(17)27-24(30)22(28-15-6-5-7-16-28)23(29)18-11-13-19(14-12-18)25(2,3)4/h5-16H,1-4H3,(H-,27,29,30)/p+1