2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-methylpyridin-2-yl)ethanamide

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-methylpyridin-2-yl)ethanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-methyl-2-pyridyl)acetamide CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(6-methyl-2-pyridinyl)acetamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-methylpyridin-2-yl)acetamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(6-methyl-2-pyridyl)acetamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

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