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

Systemtic Name: 1-(3,4-dichlorophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(allylamino)-1-(3,4-dichlorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dichlorophenyl)-3-mercapto-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dichlorophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(allylamino)-1-(3,4-dichlorophenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C17H15Cl2N2OS+ MolecularWeight: 366.2848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Cl2N2OS/c1-2-8-20-17(23)15(21-9-4-3-5-10-21)16(22)12-6-7-13(18)14(19)11-12/h2-7,9-11H,1,8H2,(H-,20,22,23)/p+1