4-methoxy-N-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline

Systemtic Name: 4-methoxy-N-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]aniline Openeye Name: N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-aniline CAS Name: 4-methoxy-N-[[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methoxyaniline Traditional Name: [5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]methyl-(4-methoxyphenyl)amine Formula: C18H20N4OS MolecularWeight: 340.4426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)CNC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)CNC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H20N4OS/c1-22-17(12-19-15-8-10-16(23-2)11-9-15)20-21-18(22)24-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3