3-(3,4-dichlorophenyl)-3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-propanimidothioate

Systemtic Name: 3-(3,4-dichlorophenyl)-3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: N-benzyl-3-(3,4-dichlorophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: 3-(3,4-dichlorophenyl)-3-oxo-N-(phenylmethyl)-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: N-benzyl-3-(3,4-dichlorophenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: N-benzyl-3-(3,4-dichlorophenyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C21H16Cl2N2OS MolecularWeight: 415.33554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16Cl2N2OS/c22-17-10-9-16(13-18(17)23)20(26)19(25-11-5-2-6-12-25)21(27)24-14-15-7-3-1-4-8-15/h1-13,19H,14H2