N-(2,5-dimethylphenyl)-2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2CCCOC)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2CCCOC)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5O2S/c1-15-5-6-16(2)18(13-15)23-19(27)14-29-21-25-24-20(17-7-9-22-10-8-17)26(21)11-4-12-28-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,23,27)