3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(2-methylbenzyl)thio]-4-p-phenetyl-1,2,4-triazole Formula: C28H31N3OS MolecularWeight: 457.63024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H31N3OS/c1-6-32-25-17-15-24(16-18-25)31-26(21-11-13-23(14-12-21)28(3,4)5)29-30-27(31)33-19-22-10-8-7-9-20(22)2/h7-18H,6,19H2,1-5H3