1,1,1-tris(fluoranyl)-4-[(4-methylphenyl)amino]-3-pyridin-1-ium-1-yl-4-sulfanyl-but-3-en-2-one

Systemtic Name: 1,1,1-tris(fluoranyl)-4-[(4-methylphenyl)amino]-3-pyridin-1-ium-1-yl-4-sulfanyl-but-3-en-2-one Openeye Name: 1,1,1-trifluoro-4-(4-methylanilino)-3-pyridin-1-ium-1-yl-4-sulfanyl-but-3-en-2-one CAS Name: 1,1,1-trifluoro-4-mercapto-4-(4-methylanilino)-3-(1-pyridin-1-iumyl)-3-buten-2-one IUPAC Name: 1,1,1-trifluoro-4-(4-methylanilino)-3-pyridin-1-ium-1-yl-4-sulfanylbut-3-en-2-one Traditional Name: 1,1,1-trifluoro-4-mercapto-4-(p-toluidino)-3-pyridin-1-ium-1-yl-but-3-en-2-one Formula: C16H14F3N2OS+ MolecularWeight: 339.35537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=C(C(=O)C(F)(F)F)[N+]2=CC=CC=C2)S

Isomeric SMILES

CC1=CC=C(C=C1)NC(=C(C(=O)C(F)(F)F)[N+]2=CC=CC=C2)S

InChI

InChI=1S/C16H13F3N2OS/c1-11-5-7-12(8-6-11)20-15(23)13(14(22)16(17,18)19)21-9-3-2-4-10-21/h2-10H,1H3,(H-,20,22,23)/p+1