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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(4-tert-butylphenyl)-4-p-phenetyl-1,2,4-triazole Formula: C27H28BrN3OS MolecularWeight: 522.49972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrN3OS/c1-5-32-24-16-14-23(15-17-24)31-25(20-8-10-21(11-9-20)27(2,3)4)29-30-26(31)33-18-19-6-12-22(28)13-7-19/h6-17H,5,18H2,1-4H3