3-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-bis(4-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-bis(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-bis(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-4,5-bis(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-bis(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-4,5-bis(4-methoxyphenyl)-1,2,4-triazole Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H25N3O2S/c1-17-5-6-18(2)20(15-17)16-31-25-27-26-24(19-7-11-22(29-3)12-8-19)28(25)21-9-13-23(30-4)14-10-21/h5-15H,16H2,1-4H3