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

Systemtic Name: 2-[[4-phenethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[(5-benzyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[4-phenethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[(5-benzyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[(5-benzyl-4-phenethyl-1,2,4-triazol-3-yl)thio]-N-isopropyl-acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-17(2)23-21(27)16-28-22-25-24-20(15-19-11-7-4-8-12-19)26(22)14-13-18-9-5-3-6-10-18/h3-12,17H,13-16H2,1-2H3,(H,23,27)