(Z)-1-(3-bromophenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-1-(3-bromophenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-anilino-1-(3-bromophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (Z)-3-anilino-1-(3-bromophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (Z)-3-anilino-1-(3-bromophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (Z)-3-anilino-1-(3-bromophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C20H15BrN2OS MolecularWeight: 411.3149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)