N-[[4-(2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide

Systemtic Name: N-[[4-(2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[4-(2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[4-(2-methoxyphenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[4-(2-methoxyphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[4-(2-methoxyphenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC=CC=C2OC)CNC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC=CC=C2OC)CNC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H24N4O2S/c1-4-12-28-21-24-23-19(25(21)17-10-5-6-11-18(17)27-3)14-22-20(26)16-9-7-8-15(2)13-16/h5-11,13H,4,12,14H2,1-3H3,(H,22,26)