3-[(2-methylphenoxy)methyl]-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-[(2-methylphenoxy)methyl]-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-methylphenoxy)methyl]-4-phenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole Formula: C23H21N3OS MolecularWeight: 387.49734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3OS/c1-18-10-8-9-15-21(18)27-16-22-24-25-23(26(22)20-13-6-3-7-14-20)28-17-19-11-4-2-5-12-19/h2-15H,16-17H2,1H3