3-[(2,6-dimethylphenoxy)methyl]-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-[(2,6-dimethylphenoxy)methyl]-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(2,6-dimethylphenoxy)methyl]-4-phenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazole Formula: C24H23N3OS MolecularWeight: 401.52392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C24H23N3OS/c1-18-10-9-11-19(2)23(18)28-16-22-25-26-24(27(22)21-14-7-4-8-15-21)29-17-20-12-5-3-6-13-20/h3-15H,16-17H2,1-2H3