3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazole Formula: C27H31N3OS2 MolecularWeight: 477.68454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC3=C(C=C(C=C3C)C(C)(C)C)C)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCC3=C(C=C(C=C3C)C(C)(C)C)C)C4=CC=CS4

InChI

InChI=1S/C27H31N3OS2/c1-17-10-11-23(31-7)22(13-17)30-25(24-9-8-12-32-24)28-29-26(30)33-16-21-18(2)14-20(15-19(21)3)27(4,5)6/h8-15H,16H2,1-7H3