2-(4-tert-butylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylamino)-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylamino)-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(1-naphthylamino)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-mercapto-3-(1-naphthalenylamino)-1-thiophen-2-yl-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylamino)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-mercapto-3-(1-naphthylamino)-1-(2-thienyl)prop-2-en-1-one Formula: C26H25N2OS2+ MolecularWeight: 445.6195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C(=C(NC2=CC=CC3=CC=CC=C32)S)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C(=C(NC2=CC=CC3=CC=CC=C32)S)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H24N2OS2/c1-26(2,3)19-13-15-28(16-14-19)23(24(29)22-12-7-17-31-22)25(30)27-21-11-6-9-18-8-4-5-10-20(18)21/h4-17H,1-3H3,(H-,27,29,30)/p+1