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

Systemtic Name: 4-methoxy-N-[(4-phenethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide Openeye Name: 4-methoxy-N-[(4-phenethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide CAS Name: 4-methoxy-N-[[4-phenethyl-5-(propylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-methoxy-N-[(4-phenethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]benzamide Traditional Name: 4-methoxy-N-[[4-phenethyl-5-(propylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N4O2S/c1-3-15-29-22-25-24-20(26(22)14-13-17-7-5-4-6-8-17)16-23-21(27)18-9-11-19(28-2)12-10-18/h4-12H,3,13-16H2,1-2H3,(H,23,27)