3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(4-tert-butylphenyl)-4-p-phenetyl-1,2,4-triazole Formula: C27H29N3OS MolecularWeight: 443.60366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3OS/c1-5-31-24-17-15-23(16-18-24)30-25(21-11-13-22(14-12-21)27(2,3)4)28-29-26(30)32-19-20-9-7-6-8-10-20/h6-18H,5,19H2,1-4H3