4-azanyl-6-oxidanyl-2-phenyl-5-(thiolan-1-ium-1-yl)benzene-1,3-dicarbonitrile

Systemtic Name: 4-azanyl-6-oxidanyl-2-phenyl-5-(thiolan-1-ium-1-yl)benzene-1,3-dicarbonitrile Openeye Name: 4-amino-6-hydroxy-2-phenyl-5-tetrahydrothiophen-1-ium-1-yl-benzene-1,3-dicarbonitrile CAS Name: 4-amino-6-hydroxy-2-phenyl-5-(1-thiolan-1-iumyl)benzene-1,3-dicarbonitrile IUPAC Name: 4-amino-6-hydroxy-2-phenyl-5-(thiolan-1-ium-1-yl)benzene-1,3-dicarbonitrile Traditional Name: 4-amino-6-hydroxy-2-phenyl-5-tetrahydrothiophen-1-ium-1-yl-isophthalonitrile Formula: C18H16N3OS+ MolecularWeight: 322.40414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[S+](C1)C2=C(C(=C(C(=C2O)C#N)C3=CC=CC=C3)C#N)N

Isomeric SMILES

C1CC[S+](C1)C2=C(C(=C(C(=C2O)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/p+1