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

Systemtic Name: 4-(methylideneamino)-2-[(2-oxidanyl-6-sulfanyloxyperoxy-naphthalen-1-yl)iminomethylideneamino]-1H-imidazole-5-carbonitrile Openeye Name: 2-[(2-hydroxy-6-sulfanyloxyperoxy-1-naphthyl)iminomethyleneamino]-4-(methyleneamino)-1H-imidazole-5-carbonitrile CAS Name: 2-[(2-hydroxy-6-mercaptooxydioxy-1-naphthalenyl)iminomethylideneamino]-4-(methyleneamino)-1H-imidazole-5-carbonitrile IUPAC Name: 2-[(2-hydroxy-6-sulfanyloxyperoxynaphthalen-1-yl)iminomethylideneamino]-4-(methylideneamino)-1H-imidazole-5-carbonitrile Traditional Name: 2-[(2-hydroxy-6-mercaptooxyperoxy-1-naphthyl)iminomethyleneamino]-4-(methyleneamino)-1H-imidazole-5-carbonitrile Formula: C16H10N6O4S MolecularWeight: 382.3534

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Descriptors Computed from Structure

Canonical SMILES:

C=NC1=C(NC(=N1)N=C=NC2=C(C=CC3=C2C=CC(=C3)OOOS)O)C#N

Isomeric SMILES

C=NC1=C(NC(=N1)N=C=NC2=C(C=CC3=C2C=CC(=C3)OOOS)O)C#N

InChI

InChI=1S/C16H10N6O4S/c1-18-15-12(7-17)21-16(22-15)20-8-19-14-11-4-3-10(24-25-26-27)6-9(11)2-5-13(14)23/h2-6,23,27H,1H2,(H,21,22)