3-(4-chlorophenyl)-3-oxidanylidene-2-(3-phenylpyridin-1-ium-1-yl)-N-prop-2-enyl-propanimidothioate

Systemtic Name: 3-(4-chlorophenyl)-3-oxidanylidene-2-(3-phenylpyridin-1-ium-1-yl)-N-prop-2-enyl-propanimidothioate Openeye Name: N-allyl-3-(4-chlorophenyl)-3-oxo-2-(3-phenylpyridin-1-ium-1-yl)propanimidothioate CAS Name: 3-(4-chlorophenyl)-3-oxo-2-(3-phenyl-1-pyridin-1-iumyl)-N-prop-2-enylpropanimidothioate IUPAC Name: 3-(4-chlorophenyl)-3-oxo-2-(3-phenylpyridin-1-ium-1-yl)-N-prop-2-enylpropanimidothioate Traditional Name: N-allyl-3-(4-chlorophenyl)-3-keto-2-(3-phenylpyridin-1-ium-1-yl)thiopropionimidate Formula: C23H19ClN2OS MolecularWeight: 406.92776

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(C(C(=O)C1=CC=C(C=C1)Cl)[N+]2=CC=CC(=C2)C3=CC=CC=C3)[S-]

Isomeric SMILES

C=CCN=C(C(C(=O)C1=CC=C(C=C1)Cl)[N+]2=CC=CC(=C2)C3=CC=CC=C3)[S-]

InChI

InChI=1S/C23H19ClN2OS/c1-2-14-25-23(28)21(22(27)18-10-12-20(24)13-11-18)26-15-6-9-19(16-26)17-7-4-3-5-8-17/h2-13,15-16,21H,1,14H2