(E)-1-phenyl-3-phenylazanyl-2-pyrrolo[1,2-a]pyrazin-2-ium-2-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-phenyl-3-phenylazanyl-2-pyrrolo[1,2-a]pyrazin-2-ium-2-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-anilino-1-phenyl-2-pyrrolo[1,2-a]pyrazin-2-ium-2-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-anilino-1-phenyl-2-(2-pyrrolo[1,2-a]pyrazin-2-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-anilino-1-phenyl-2-pyrrolo[1,2-a]pyrazin-2-ium-2-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-anilino-1-phenyl-2-pyrrolo[1,2-a]pyrazin-2-ium-2-yl-3-thioxo-prop-1-en-1-olate Formula: C22H17N3OS MolecularWeight: 371.45488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C(=S)NC2=CC=CC=C2)[N+]3=CC4=CC=CN4C=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/C(=S)NC2=CC=CC=C2)\[N+]3=CC4=CC=CN4C=C3)/[O-]

InChI

InChI=1S/C22H17N3OS/c26-21(17-8-3-1-4-9-17)20(22(27)23-18-10-5-2-6-11-18)25-15-14-24-13-7-12-19(24)16-25/h1-16H,(H-,23,26,27)