3-(4-bromophenyl)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: 3-(4-bromophenyl)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: N-allyl-3-(4-bromophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: 3-(4-bromophenyl)-3-oxo-N-prop-2-enyl-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: 3-(4-bromophenyl)-3-oxo-N-prop-2-enyl-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: N-allyl-3-(4-bromophenyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C17H15BrN2OS MolecularWeight: 375.2828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2OS/c1-2-10-19-17(22)15(20-11-4-3-5-12-20)16(21)13-6-8-14(18)9-7-13/h2-9,11-12,15H,1,10H2