2-[[4-azanyl-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[4-amino-5-[3-(p-tolyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[4-amino-5-[3-(p-tolyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C20H25N7OS MolecularWeight: 411.5238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)NC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)NC4CCCCC4

InChI

InChI=1S/C20H25N7OS/c1-13-7-9-14(10-8-13)16-11-17(24-23-16)19-25-26-20(27(19)21)29-12-18(28)22-15-5-3-2-4-6-15/h7-11,15H,2-6,12,21H2,1H3,(H,22,28)(H,23,24)