2-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethyl]sulfanyl-N-oxidanyl-3H-benzimidazol-5-amine oxide

Systemtic Name: 2-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethyl]sulfanyl-N-oxidanyl-3H-benzimidazol-5-amine oxide Openeye Name: 2-[2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-oxo-ethyl]sulfanyl-N-hydroxy-3H-benzimidazol-5-amine oxide CAS Name: 2-[[2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-oxoethyl]thio]-N-hydroxy-3H-benzimidazol-5-amine oxide IUPAC Name: 2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxoethyl]sulfanyl-N-hydroxy-3H-benzimidazol-5-amine oxide Traditional Name: N-hydroxy-2-[[2-keto-2-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)ethyl]thio]-3H-benzimidazol-5-amine oxide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CSC3=NC4=C(N3)C=C(C=C4)[NH+](O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CSC3=NC4=C(N3)C=C(C=C4)[NH+](O)[O-]

InChI

InChI=1S/C20H19N5O4S/c1-12-18(19(27)24(23(12)2)13-6-4-3-5-7-13)17(26)11-30-20-21-15-9-8-14(25(28)29)10-16(15)22-20/h3-10,25,28H,11H2,1-2H3,(H,21,22)