N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[(E)-(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-2-[(1-methyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-2-[(1-methylbenzimidazol-2-yl)thio]acetamide Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)CSC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/NC(=O)CSC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C22H22N6OS/c1-15-18(16(2)28(26-15)17-9-5-4-6-10-17)13-23-25-21(29)14-30-22-24-19-11-7-8-12-20(19)27(22)3/h4-13H,14H2,1-3H3,(H,25,29)/b23-13+