3-azanyl-N-phenyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enamide

Systemtic Name: 3-azanyl-N-phenyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enamide Openeye Name: 3-amino-N-phenyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enamide CAS Name: 3-amino-3-mercapto-N-phenyl-2-(1-pyridin-1-iumyl)-2-propenamide IUPAC Name: 3-amino-N-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-enamide Traditional Name: 3-amino-3-mercapto-N-phenyl-2-pyridin-1-ium-1-yl-acrylamide Formula: C14H14N3OS+ MolecularWeight: 272.34546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(=C(N)S)[N+]2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C(=C(N)S)[N+]2=CC=CC=C2

InChI

InChI=1S/C14H13N3OS/c15-13(19)12(17-9-5-2-6-10-17)14(18)16-11-7-3-1-4-8-11/h1-10H,(H3-,15,16,18,19)/p+1