(2R)-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: (2R)-3-(4-methyl-3-nitro-phenyl)-3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: (2R)-N-benzyl-3-(4-methyl-3-nitro-phenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: (2R)-3-(4-methyl-3-nitrophenyl)-3-oxo-N-(phenylmethyl)-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2R)-N-benzyl-3-(4-methyl-3-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: (2R)-N-benzyl-3-keto-3-(4-methyl-3-nitro-phenyl)-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C(=NCC2=CC=CC=C2)[S-])[N+]3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C(=NCC2=CC=CC=C2)[S-])[N+]3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O3S/c1-16-10-11-18(14-19(16)25(27)28)21(26)20(24-12-6-3-7-13-24)22(29)23-15-17-8-4-2-5-9-17/h2-14,20H,15H2,1H3/t20-/m1/s1