2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-phenylbutyl]ethanamide

Systemtic Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-phenylbutyl]ethanamide Openeye Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-phenylbutyl]acetamide CAS Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-[(1R)-1-phenylbutyl]acetamide IUPAC Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-phenylbutyl]acetamide Traditional Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(1R)-1-phenylbutyl]acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C20H23N5OS/c1-3-7-17(15-8-5-4-6-9-15)22-18(26)14-27-20-24-23-19(25(20)2)16-10-12-21-13-11-16/h4-6,8-13,17H,3,7,14H2,1-2H3,(H,22,26)/t17-/m1/s1