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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(4-methoxyphenyl)-4-p-phenetyl-1,2,4-triazole Formula: C28H31N3O2S MolecularWeight: 473.62964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H31N3O2S/c1-6-33-25-17-13-23(14-18-25)31-26(21-9-15-24(32-5)16-10-21)29-30-27(31)34-19-20-7-11-22(12-8-20)28(2,3)4/h7-18H,6,19H2,1-5H3