5-azanyl-2,4-dicyano-3-phenyl-6-(thiolan-1-ium-1-yl)phenolate

Systemtic Name: 5-azanyl-2,4-dicyano-3-phenyl-6-(thiolan-1-ium-1-yl)phenolate Openeye Name: 5-amino-2,4-dicyano-3-phenyl-6-tetrahydrothiophen-1-ium-1-yl-phenolate CAS Name: 5-amino-2,4-dicyano-3-phenyl-6-(1-thiolan-1-iumyl)phenolate IUPAC Name: 5-amino-2,4-dicyano-3-phenyl-6-(thiolan-1-ium-1-yl)phenolate Traditional Name: 5-amino-2,4-dicyano-3-phenyl-6-tetrahydrothiophen-1-ium-1-yl-phenolate Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[S+](C1)C2=C(C(=C(C(=C2[O-])C#N)C3=CC=CC=C3)C#N)N

Isomeric SMILES

C1CC[S+](C1)C2=C(C(=C(C(=C2[O-])C#N)C3=CC=CC=C3)C#N)N

InChI

InChI=1S/C18H15N3OS/c19-10-13-15(12-6-2-1-3-7-12)14(11-20)17(22)18(16(13)21)23-8-4-5-9-23/h1-3,6-7H,4-5,8-9,21H2