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

Systemtic Name: 1-(4-tert-butylphenyl)-3-[(3-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-tert-butylphenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-tert-butylphenyl)-3-mercapto-3-(3-methoxyanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-tert-butylphenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-tert-butylphenyl)-3-(m-anisidino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C25H27N2O2S+ MolecularWeight: 419.55908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=C(NC2=CC(=CC=C2)OC)S)[N+]3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=C(NC2=CC(=CC=C2)OC)S)[N+]3=CC=CC=C3

InChI

InChI=1S/C25H26N2O2S/c1-25(2,3)19-13-11-18(12-14-19)23(28)22(27-15-6-5-7-16-27)24(30)26-20-9-8-10-21(17-20)29-4/h5-17H,1-4H3,(H-,26,28,30)/p+1