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

Systemtic Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)-N-propan-2-yl-ethanamide Openeye Name: N-benzyl-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)-N-propan-2-ylacetamide IUPAC Name: N-benzyl-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: N-benzyl-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-N-isopropyl-acetamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)CSC2=NNC(=N2)CCC3CCCC3

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)CSC2=NNC(=N2)CCC3CCCC3

InChI

InChI=1S/C21H30N4OS/c1-16(2)25(14-18-10-4-3-5-11-18)20(26)15-27-21-22-19(23-24-21)13-12-17-8-6-7-9-17/h3-5,10-11,16-17H,6-9,12-15H2,1-2H3,(H,22,23,24)