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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[(2-methyl-3-phenyl-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[(2-methyl-3-phenyl-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[(2-methyl-3-phenylphenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[(2-methyl-3-phenylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-[(2-methyl-3-phenyl-benzyl)thio]-4-phenyl-1,2,4-triazole Formula: C30H27N3O2S MolecularWeight: 493.61928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC=C1CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5

InChI

InChI=1S/C30H27N3O2S/c1-21-24(13-10-16-26(21)22-11-6-4-7-12-22)20-36-30-32-31-29(33(30)25-14-8-5-9-15-25)23-17-18-27(34-2)28(19-23)35-3/h4-19H,20H2,1-3H3