2-[[5-(2-ethyl-5-methyl-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[5-(2-ethyl-5-methyl-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-(2-ethyl-5-methyl-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(2-ethyl-5-methyl-3-pyrazolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-(2-ethyl-5-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-(2-ethyl-5-methyl-pyrazol-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCN1C(=CC(=N1)C)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4

InChI

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