N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-(6-ethoxy-3-pyridazinyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-(6-ethoxypyridazin-3-yl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-(6-ethoxypyridazin-3-yl)-5-methyl-pyrazole-4-carboxamide Formula: C22H25N7O2S MolecularWeight: 451.5446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CCOC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C22H25N7O2S/c1-4-31-20-10-9-19(27-28-20)29-14(2)15(13-23-29)22(30)26-18(11-12-32-3)21-24-16-7-5-6-8-17(16)25-21/h5-10,13,18H,4,11-12H2,1-3H3,(H,24,25)(H,26,30)