4-[(4-azanylperoxysulfanyloxy-3-chloranyl-5-methoxy-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(4-azanylperoxysulfanyloxy-3-chloranyl-5-methoxy-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(4-aminoperoxysulfanyloxy-3-chloro-5-methoxy-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[[4-(aminodioxythio)oxy-3-chloro-5-methoxyphenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[(4-aminoperoxysulfanyloxy-3-chloro-5-methoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[[4-(aminoperoxythio)oxy-3-chloro-5-methoxy-benzyl]-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C17H15ClN6O4S MolecularWeight: 434.8568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)Cl)OSOON

Isomeric SMILES

COC1=C(C(=CC(=C1)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)Cl)OSOON

InChI

InChI=1S/C17H15ClN6O4S/c1-25-16-7-13(6-15(18)17(16)26-29-28-27-20)9-24(23-10-21-22-11-23)14-4-2-12(8-19)3-5-14/h2-7,10-11H,9,20H2,1H3