3-(1,3-benzodioxol-5-yl)-5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-4-phenyl-1,2,4-triazole Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C)C(C)(C)C

InChI

InChI=1S/C28H29N3O2S/c1-18-13-21(28(3,4)5)14-19(2)23(18)16-34-27-30-29-26(31(27)22-9-7-6-8-10-22)20-11-12-24-25(15-20)33-17-32-24/h6-15H,16-17H2,1-5H3