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

Systemtic Name: 1-(4-nitrophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(allylamino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-mercapto-1-(4-nitrophenyl)-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-nitrophenyl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(allylamino)-3-mercapto-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C17H16N3O3S+ MolecularWeight: 342.39224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c1-2-10-18-17(24)15(19-11-4-3-5-12-19)16(21)13-6-8-14(9-7-13)20(22)23/h2-9,11-12H,1,10H2,(H-,18,21,24)/p+1