3-(3-nitrophenyl)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: 3-(3-nitrophenyl)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: N-allyl-3-(3-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: 3-(3-nitrophenyl)-3-oxo-N-prop-2-enyl-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: 3-(3-nitrophenyl)-3-oxo-N-prop-2-enyl-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: N-allyl-3-keto-3-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C17H15N3O3S MolecularWeight: 341.3843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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