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

Systemtic Name: 3-(4-chlorophenyl)-3-oxidanylidene-N-(phenylmethyl)-2-pyridin-1-ium-1-yl-propanimidothioate Openeye Name: N-benzyl-3-(4-chlorophenyl)-3-oxo-2-pyridin-1-ium-1-yl-propanimidothioate CAS Name: 3-(4-chlorophenyl)-3-oxo-N-(phenylmethyl)-2-(1-pyridin-1-iumyl)propanimidothioate IUPAC Name: N-benzyl-3-(4-chlorophenyl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate Traditional Name: N-benzyl-3-(4-chlorophenyl)-3-keto-2-pyridin-1-ium-1-yl-thiopropionimidate Formula: C21H17ClN2OS MolecularWeight: 380.89048

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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)[N+]3=CC=CC=C3)[S-]

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2OS/c22-18-11-9-17(10-12-18)20(25)19(24-13-5-2-6-14-24)21(26)23-15-16-7-3-1-4-8-16/h1-14,19H,15H2