1,5-dimethyl-4-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetyl]-2-phenyl-3-pyrazolin-3-one Formula: C20H17N5O4S MolecularWeight: 423.44508

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O4S/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/h3-10H,11H2,1-2H3,(H,21,22)