2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-benzyloxyphenyl)propanamide CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenylmethoxyphenyl)propanamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: N-(4-benzoxyphenyl)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C28H28N4O2S MolecularWeight: 484.61252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC3=NN=C(N3CC4=CC=CC=C4)C5CC5

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC3=NN=C(N3CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C28H28N4O2S/c1-20(27(33)29-24-14-16-25(17-15-24)34-19-22-10-6-3-7-11-22)35-28-31-30-26(23-12-13-23)32(28)18-21-8-4-2-5-9-21/h2-11,14-17,20,23H,12-13,18-19H2,1H3,(H,29,33)