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

Systemtic Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-propanamide CAS Name: 2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-N-ethyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethylpropanamide Traditional Name: N-benzyl-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]-N-ethyl-propionamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)SC2=NNC(=N2)CCC3CCCC3

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C(C)SC2=NNC(=N2)CCC3CCCC3

InChI

InChI=1S/C21H30N4OS/c1-3-25(15-18-11-5-4-6-12-18)20(26)16(2)27-21-22-19(23-24-21)14-13-17-9-7-8-10-17/h4-6,11-12,16-17H,3,7-10,13-15H2,1-2H3,(H,22,23,24)