N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H22N6OS2 MolecularWeight: 438.56898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N6OS2/c1-21(2,3)16-12-17(27(26-16)14-8-5-4-6-9-14)22-18(28)13-30-20-23-19(24-25-20)15-10-7-11-29-15/h4-12H,13H2,1-3H3,(H,22,28)(H,23,24,25)