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

Systemtic Name: 1-phenyl-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(allylamino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-mercapto-1-phenyl-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-phenyl-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(allylamino)-3-mercapto-1-phenyl-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C17H17N2OS+ MolecularWeight: 297.39468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2OS/c1-2-11-18-17(21)15(19-12-7-4-8-13-19)16(20)14-9-5-3-6-10-14/h2-10,12-13H,1,11H2,(H-,18,20,21)/p+1