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

Systemtic Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(1R)-3-methyl-1-phenylbutyl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(1R)-3-methyl-1-phenylbutyl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1R)-3-methyl-1-phenyl-butyl]-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5OS/c1-15(2)13-18(16-7-5-4-6-8-16)23-19(27)14-28-21-25-24-20(26(21)3)17-9-11-22-12-10-17/h4-12,15,18H,13-14H2,1-3H3,(H,23,27)/t18-/m1/s1