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

Systemtic Name: (2S)-3-(4-bromophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-oxidanylidene-N-prop-2-enyl-propanimidothioate Openeye Name: (2S)-N-allyl-3-(4-bromophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-oxo-propanimidothioate CAS Name: (2S)-3-(4-bromophenyl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-oxo-N-prop-2-enylpropanimidothioate IUPAC Name: (2S)-3-(4-bromophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-oxo-N-prop-2-enylpropanimidothioate Traditional Name: (2S)-N-allyl-3-(4-bromophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-keto-thiopropionimidate Formula: C19H20BrN3OS MolecularWeight: 418.3506

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C(C(=O)C2=CC=C(C=C2)Br)C(=NCC=C)[S-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)[C@@H](C(=O)C2=CC=C(C=C2)Br)C(=NCC=C)[S-]

InChI

InChI=1S/C19H20BrN3OS/c1-4-11-21-19(25)17(18(24)14-5-7-15(20)8-6-14)23-12-9-16(10-13-23)22(2)3/h4-10,12-13,17H,1,11H2,2-3H3/t17-/m0/s1