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

Systemtic Name: (2R)-N-cyclopropyl-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-cyclopropyl-propanamide CAS Name: (2R)-N-cyclopropyl-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-cyclopropylpropanamide Traditional Name: (2R)-2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-propionamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C[C@H](C(=O)NC1CC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C20H21N5OS/c1-14(19(26)22-17-7-8-17)27-20-24-23-18(16-9-11-21-12-10-16)25(20)13-15-5-3-2-4-6-15/h2-6,9-12,14,17H,7-8,13H2,1H3,(H,22,26)/t14-/m1/s1