[2-[(2-chloranylphenoxy)methyl]-3H-benzimidazol-1-ium-5-yl]sulfonyl-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azanide

Systemtic Name: [2-[(2-chloranylphenoxy)methyl]-3H-benzimidazol-1-ium-5-yl]sulfonyl-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azanide Openeye Name: [2-[(2-chlorophenoxy)methyl]-3H-benzimidazol-1-ium-5-yl]sulfonyl-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)azanide CAS Name: [2-[(2-chlorophenoxy)methyl]-3H-benzimidazol-1-ium-5-yl]sulfonyl-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)azanide IUPAC Name: [2-[(2-chlorophenoxy)methyl]-3H-benzimidazol-1-ium-5-yl]sulfonyl-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)azanide Traditional Name: [2-[(2-chlorophenoxy)methyl]-3H-benzimidazol-1-ium-5-yl]sulfonyl-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)azanide Formula: C25H22ClN5O4S MolecularWeight: 523.99128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[N-]S(=O)(=O)C3=CC4=C(C=C3)[NH+]=C(N4)COC5=CC=CC=C5Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[N-]S(=O)(=O)C3=CC4=C(C=C3)[NH+]=C(N4)COC5=CC=CC=C5Cl

InChI

InChI=1S/C25H21ClN5O4S/c1-16-24(25(32)31(30(16)2)17-8-4-3-5-9-17)29-36(33,34)18-12-13-20-21(14-18)28-23(27-20)15-35-22-11-7-6-10-19(22)26/h3-14H,15H2,1-2H3,(H,27,28)/q-1/p+1