1-(2-bromophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(2-bromophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(allylamino)-1-(2-bromophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(2-bromophenyl)-3-mercapto-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2-bromophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(allylamino)-1-(2-bromophenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C17H16BrN2OS+ MolecularWeight: 376.29074

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=C(C(=O)C1=CC=CC=C1Br)[N+]2=CC=CC=C2)S

Isomeric SMILES

C=CCNC(=C(C(=O)C1=CC=CC=C1Br)[N+]2=CC=CC=C2)S

InChI

InChI=1S/C17H15BrN2OS/c1-2-10-19-17(22)15(20-11-6-3-7-12-20)16(21)13-8-4-5-9-14(13)18/h2-9,11-12H,1,10H2,(H-,19,21,22)/p+1