1-(4-tert-butylphenyl)-3-[(2,5-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(4-tert-butylphenyl)-3-[(2,5-dimethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-tert-butylphenyl)-3-(2,5-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-tert-butylphenyl)-3-(2,5-dimethylanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-tert-butylphenyl)-3-(2,5-dimethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-tert-butylphenyl)-3-(2,5-dimethylanilino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C26H29N2OS+ MolecularWeight: 417.58626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2OS/c1-18-9-10-19(2)22(17-18)27-25(30)23(28-15-7-6-8-16-28)24(29)20-11-13-21(14-12-20)26(3,4)5/h6-17H,1-5H3,(H-,27,29,30)/p+1