(Z)-1-(4-tert-butylphenyl)-3-(naphthalen-1-ylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (Z)-1-(4-tert-butylphenyl)-3-(naphthalen-1-ylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (Z)-1-(4-tert-butylphenyl)-3-(1-naphthylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (Z)-1-(4-tert-butylphenyl)-3-mercapto-3-(1-naphthalenylamino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-1-(4-tert-butylphenyl)-3-(naphthalen-1-ylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (Z)-1-(4-tert-butylphenyl)-3-mercapto-3-(1-naphthylamino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C28H27N2OS+ MolecularWeight: 439.59178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC3=CC=CC=C32)S)[N+]4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)/C(=C(\NC2=CC=CC3=CC=CC=C32)/S)/[N+]4=CC=CC=C4

InChI

InChI=1S/C28H26N2OS/c1-28(2,3)22-16-14-21(15-17-22)26(31)25(30-18-7-4-8-19-30)27(32)29-24-13-9-11-20-10-5-6-12-23(20)24/h4-19H,1-3H3,(H-,29,31,32)/p+1