N-cycloheptyl-2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cycloheptyl-2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: N-cycloheptyl-2-[[5-(2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide Traditional Name: 2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C22H26N4O2S/c27-20(23-18-11-6-1-2-7-12-18)16-29-22-25-24-21(19-13-8-14-28-19)26(22)15-17-9-4-3-5-10-17/h3-5,8-10,13-14,18H,1-2,6-7,11-12,15-16H2,(H,23,27)