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

Systemtic Name: N-[(5-ethylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide Openeye Name: N-[(5-ethylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide CAS Name: N-[[5-(ethylthio)-4-phenethyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[(5-ethylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide Traditional Name: N-[[5-(ethylthio)-4-phenethyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N4O2S/c1-3-28-21-24-23-19(25(21)14-13-16-7-5-4-6-8-16)15-22-20(26)17-9-11-18(27-2)12-10-17/h4-12H,3,13-15H2,1-2H3,(H,22,26)