1-(4-chlorophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(4-chlorophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(allylamino)-1-(4-chlorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-chlorophenyl)-3-mercapto-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-chlorophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(allylamino)-1-(4-chlorophenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C17H16ClN2OS+ MolecularWeight: 331.83974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2OS/c1-2-10-19-17(22)15(20-11-4-3-5-12-20)16(21)13-6-8-14(18)9-7-13/h2-9,11-12H,1,10H2,(H-,19,21,22)/p+1