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

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C28H28N6O2S MolecularWeight: 512.62592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N6O2S/c1-28(2,3)23-17-24(34(32-23)21-13-8-5-9-14-21)29-25(35)19-37-27-31-30-26(20-11-6-4-7-12-20)33(27)18-22-15-10-16-36-22/h4-17H,18-19H2,1-3H3,(H,29,35)