1-(3-bromophenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(3-bromophenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(3-bromophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-1-(3-bromophenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-anilino-1-(3-bromophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-1-(3-bromophenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C20H16BrN2OS+ MolecularWeight: 412.32284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN2OS/c21-16-9-7-8-15(14-16)19(24)18(23-12-5-2-6-13-23)20(25)22-17-10-3-1-4-11-17/h1-14H,(H-,22,24,25)/p+1