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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(2-methylphenyl)amino]-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-methylanilino)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-mercapto-3-(2-methylanilino)-1-(4-nitrophenyl)-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-methylanilino)-1-(4-nitrophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-mercapto-1-(4-nitrophenyl)-3-(o-toluidino)prop-2-en-1-one Formula: C25H26N3O3S+ MolecularWeight: 448.55724

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H25N3O3S/c1-17-7-5-6-8-21(17)26-24(32)22(27-15-13-19(14-16-27)25(2,3)4)23(29)18-9-11-20(12-10-18)28(30)31/h5-16H,1-4H3,(H-,26,29,32)/p+1