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

Systemtic Name: 3-(3-nitrophenyl)-3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: N-benzyl-3-(3-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: 3-(3-nitrophenyl)-3-oxo-N-(phenylmethyl)-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: N-benzyl-3-(3-nitrophenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: N-benzyl-3-keto-3-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S/c25-20(17-10-7-11-18(14-17)24(26)27)19(23-12-5-2-6-13-23)21(28)22-15-16-8-3-1-4-9-16/h1-14,19H,15H2