2-[(2-oxidanyl-6-sulfanyloxyperoxy-naphthalen-1-yl)iminomethylideneamino]-4H-imidazole-4,5-dicarbonitrile

Systemtic Name: 2-[(2-oxidanyl-6-sulfanyloxyperoxy-naphthalen-1-yl)iminomethylideneamino]-4H-imidazole-4,5-dicarbonitrile Openeye Name: 2-[(2-hydroxy-6-sulfanyloxyperoxy-1-naphthyl)iminomethyleneamino]-4H-imidazole-4,5-dicarbonitrile CAS Name: 2-[(2-hydroxy-6-mercaptooxydioxy-1-naphthalenyl)iminomethylideneamino]-4H-imidazole-4,5-dicarbonitrile IUPAC Name: 2-[(2-hydroxy-6-sulfanyloxyperoxynaphthalen-1-yl)iminomethylideneamino]-4H-imidazole-4,5-dicarbonitrile Traditional Name: 2-[(2-hydroxy-6-mercaptooxyperoxy-1-naphthyl)iminomethyleneamino]-4H-imidazole-4,5-dicarbonitrile Formula: C16H8N6O4S MolecularWeight: 380.33752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C=NC3=NC(C(=N3)C#N)C#N)O)C=C1OOOS

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C=NC3=NC(C(=N3)C#N)C#N)O)C=C1OOOS

InChI

InChI=1S/C16H8N6O4S/c17-6-12-13(7-18)22-16(21-12)20-8-19-15-11-3-2-10(24-25-26-27)5-9(11)1-4-14(15)23/h1-5,12,23,27H