N-[1-[(E)-[[(5-azanylperoxysulfanylpyridin-3-yl)amino]-(cyanoamino)methylidene]amino]-2,2-dimethyl-propyl]-4-chloranyl-benzamide

Systemtic Name: N-[1-[(E)-[[(5-azanylperoxysulfanylpyridin-3-yl)amino]-(cyanoamino)methylidene]amino]-2,2-dimethyl-propyl]-4-chloranyl-benzamide Openeye Name: N-[1-[(E)-[[(5-aminoperoxysulfanyl-3-pyridyl)amino]-(cyanoamino)methylene]amino]-2,2-dimethyl-propyl]-4-chloro-benzamide CAS Name: 5-[[(E)-[1-[[(4-chlorophenyl)-oxomethyl]amino]-2,2-dimethylpropyl]imino-(cyanoamino)methyl]amino]-3-pyridinesulfenic acid aminooxy ester IUPAC Name: N-[1-[(E)-[[(5-aminoperoxysulfanylpyridin-3-yl)amino]-(cyanoamino)methylidene]amino]-2,2-dimethylpropyl]-4-chlorobenzamide Traditional Name: N-[1-[(E)-[[[5-(aminoperoxythio)-3-pyridyl]amino]-(cyanoamino)methylene]amino]-2,2-dimethyl-propyl]-4-chloro-benzamide Formula: C19H22ClN7O3S MolecularWeight: 463.94108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(NC(=O)C1=CC=C(C=C1)Cl)N=C(NC#N)NC2=CC(=CN=C2)SOON

Isomeric SMILES

CC(C)(C)C(NC(=O)C1=CC=C(C=C1)Cl)/N=C(/NC#N)\NC2=CC(=CN=C2)SOON

InChI

InChI=1S/C19H22ClN7O3S/c1-19(2,3)17(26-16(28)12-4-6-13(20)7-5-12)27-18(24-11-21)25-14-8-15(10-23-9-14)31-30-29-22/h4-10,17H,22H2,1-3H3,(H,26,28)(H2,24,25,27)