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

Systemtic Name: N-(cyclopentylcarbamoyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)propanamide CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)propanamide Traditional Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(cyclopentylcarbamoyl)propionamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCC1)SC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCC1)SC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2S/c1-17(22(30)26-23(31)25-19-12-8-9-13-19)32-24-28-27-21(16-18-10-4-2-5-11-18)29(24)20-14-6-3-7-15-20/h2-7,10-11,14-15,17,19H,8-9,12-13,16H2,1H3,(H2,25,26,30,31)