3-oxidanylidene-3-(4-phenylphenyl)-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: 3-oxidanylidene-3-(4-phenylphenyl)-N-prop-2-enyl-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: N-allyl-3-oxo-3-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: 3-oxo-3-(4-phenylphenyl)-N-prop-2-enyl-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: 3-oxo-3-(4-phenylphenyl)-N-prop-2-enyl-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: N-allyl-3-keto-3-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C23H21N2OS+ MolecularWeight: 373.49064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2OS/c1-2-15-24-23(27)21(25-16-7-4-8-17-25)22(26)20-13-11-19(12-14-20)18-9-5-3-6-10-18/h2-14,16-17,21H,1,15H2/p+1