N-(2,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)-2-(2-methylsulfanylbenzimidazol-1-yl)ethanamide

Systemtic Name: N-(2,4-dimethyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)-2-(2-methylsulfanylbenzimidazol-1-yl)ethanamide Openeye Name: N-(2,4-dimethyl-5-oxo-1-phenyl-pyrazol-3-yl)-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide CAS Name: N-(2,4-dimethyl-5-oxo-1-phenyl-3-pyrazolyl)-2-[2-(methylthio)-1-benzimidazolyl]acetamide IUPAC Name: N-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)-2-(2-methylsulfanylbenzimidazol-1-yl)acetamide Traditional Name: N-(5-keto-2,4-dimethyl-1-phenyl-3-pyrazolin-3-yl)-2-[2-(methylthio)benzimidazol-1-yl]acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N(C1=O)C2=CC=CC=C2)C)NC(=O)CN3C4=CC=CC=C4N=C3SC

Isomeric SMILES

CC1=C(N(N(C1=O)C2=CC=CC=C2)C)NC(=O)CN3C4=CC=CC=C4N=C3SC

InChI

InChI=1S/C21H21N5O2S/c1-14-19(24(2)26(20(14)28)15-9-5-4-6-10-15)23-18(27)13-25-17-12-8-7-11-16(17)22-21(25)29-3/h4-12H,13H2,1-3H3,(H,23,27)