(2R)-N-cyclopentyl-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2R)-N-cyclopentyl-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2R)-2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-propanamide CAS Name: (2R)-N-cyclopentyl-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylpropanamide Traditional Name: (2R)-2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-cyclopentyl-propionamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H25N5OS/c1-16(21(28)24-19-9-5-6-10-19)29-22-26-25-20(18-11-13-23-14-12-18)27(22)15-17-7-3-2-4-8-17/h2-4,7-8,11-14,16,19H,5-6,9-10,15H2,1H3,(H,24,28)/t16-/m1/s1