3-(1,3-benzodioxol-5-yl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-tert-butylphenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-tert-butylbenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H25N3O2S/c1-26(2,3)20-12-9-18(10-13-20)16-32-25-28-27-24(29(25)21-7-5-4-6-8-21)19-11-14-22-23(15-19)31-17-30-22/h4-15H,16-17H2,1-3H3