N-(2-methoxy-5-methyl-phenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H20N4O2S2 MolecularWeight: 388.507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)SC2=NNC(=N2)CC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C)SC2=NNC(=N2)CC3=CC=CS3

InChI

InChI=1S/C18H20N4O2S2/c1-11-6-7-15(24-3)14(9-11)19-17(23)12(2)26-18-20-16(21-22-18)10-13-5-4-8-25-13/h4-9,12H,10H2,1-3H3,(H,19,23)(H,20,21,22)