N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(1-methylpyrrol-3-yl)ethanamide

Systemtic Name: N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(1-methylpyrrol-3-yl)ethanamide Openeye Name: N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide CAS Name: N-[[4-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-2-(1-methyl-3-pyrrolyl)acetamide IUPAC Name: N-[[4-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide Traditional Name: N-[[4-(4-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide Formula: C18H21N5O2S MolecularWeight: 371.45664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)CC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)OC)SC

Isomeric SMILES

CN1C=CC(=C1)CC(=O)NCC2=NN=C(N2C3=CC=C(C=C3)OC)SC

InChI

InChI=1S/C18H21N5O2S/c1-22-9-8-13(12-22)10-17(24)19-11-16-20-21-18(26-3)23(16)14-4-6-15(25-2)7-5-14/h4-9,12H,10-11H2,1-3H3,(H,19,24)