3-[(3,4-dimethylphenoxy)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3,4-dimethylphenoxy)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3,4-dimethylphenoxy)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(3,4-dimethylphenoxy)methyl]-5-[(4-methoxyphenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3,4-dimethylphenoxy)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3,4-dimethylphenoxy)methyl]-5-(p-anisylthio)-4-phenyl-1,2,4-triazole Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2S/c1-18-9-12-23(15-19(18)2)30-16-24-26-27-25(28(24)21-7-5-4-6-8-21)31-17-20-10-13-22(29-3)14-11-20/h4-15H,16-17H2,1-3H3