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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(2-methylphenyl)amino]-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-methylanilino)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-mercapto-3-(2-methylanilino)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-methylanilino)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-mercapto-3-(o-toluidino)-1-(2-thienyl)prop-2-en-1-one Formula: C23H25N2OS2+ MolecularWeight: 409.5874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=C(C=C3)C(C)(C)C)S

Isomeric SMILES

CC1=CC=CC=C1NC(=C(C(=O)C2=CC=CS2)[N+]3=CC=C(C=C3)C(C)(C)C)S

InChI

InChI=1S/C23H24N2OS2/c1-16-8-5-6-9-18(16)24-22(27)20(21(26)19-10-7-15-28-19)25-13-11-17(12-14-25)23(2,3)4/h5-15H,1-4H3,(H-,24,26,27)/p+1