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

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(2-thienyl)-1,2,4-triazole Formula: C26H29N3S2 MolecularWeight: 447.65856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4)C)C(C)(C)C

InChI

InChI=1S/C26H29N3S2/c1-18-14-21(26(3,4)5)15-19(2)22(18)17-31-25-28-27-24(23-12-9-13-30-23)29(25)16-20-10-7-6-8-11-20/h6-15H,16-17H2,1-5H3