4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2-(1H-benzimidazol-2-ylthio)acetyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H18N4O2S/c1-13-18(19(26)24(23(13)2)14-8-4-3-5-9-14)17(25)12-27-20-21-15-10-6-7-11-16(15)22-20/h3-11H,12H2,1-2H3,(H,21,22)