1-phenyl-3-phenylazanyl-2-pyrrolo[1,2-a]pyrazin-2-ium-2-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-phenyl-3-phenylazanyl-2-pyrrolo[1,2-a]pyrazin-2-ium-2-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-phenyl-2-pyrrolo[1,2-a]pyrazin-2-ium-2-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-3-mercapto-1-phenyl-2-(2-pyrrolo[1,2-a]pyrazin-2-iumyl)-2-propen-1-one IUPAC Name: 3-anilino-1-phenyl-2-pyrrolo[1,2-a]pyrazin-2-ium-2-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-3-mercapto-1-phenyl-2-pyrrolo[1,2-a]pyrazin-2-ium-2-yl-prop-2-en-1-one Formula: C22H18N3OS+ MolecularWeight: 372.46282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1