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

Systemtic Name: 3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-3-thiophen-2-yl-propanimidothioate Openeye Name: N-benzyl-3-oxo-2-pyridin-1-ium-1-yl-3-(2-thienyl)propanimidothioate CAS Name: 3-oxo-N-(phenylmethyl)-2-(1-pyridin-1-iumyl)-3-thiophen-2-ylpropanimidothioate IUPAC Name: N-benzyl-3-oxo-2-pyridin-1-ium-1-yl-3-thiophen-2-ylpropanimidothioate Traditional Name: N-benzyl-3-keto-2-pyridin-1-ium-1-yl-3-(2-thienyl)thiopropionimidate Formula: C19H16N2OS2 MolecularWeight: 352.47314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN=C(C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)[S-]

Isomeric SMILES

C1=CC=C(C=C1)CN=C(C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)[S-]

InChI

InChI=1S/C19H16N2OS2/c22-18(16-10-7-13-24-16)17(21-11-5-2-6-12-21)19(23)20-14-15-8-3-1-4-9-15/h1-13,17H,14H2