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

Systemtic Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(4-chlorophenyl)amino]-3-sulfanyl-1-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-chloroanilino)-3-sulfanyl-1-(2-thienyl)prop-2-en-1-one CAS Name: (E)-2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(4-chloroanilino)-3-mercapto-1-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-chloroanilino)-3-sulfanyl-1-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-chloroanilino)-3-mercapto-1-(2-thienyl)prop-2-en-1-one Formula: C22H22ClN2OS2+ MolecularWeight: 430.00588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C(=C(NC2=CC=C(C=C2)Cl)S)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)/C(=C(\NC2=CC=C(C=C2)Cl)/S)/C(=O)C3=CC=CS3

InChI

InChI=1S/C22H21ClN2OS2/c1-22(2,3)15-10-12-25(13-11-15)19(20(26)18-5-4-14-28-18)21(27)24-17-8-6-16(23)7-9-17/h4-14H,1-3H3,(H-,24,26,27)/p+1