5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]-(4-methoxyphenyl)amine Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(S2)NC3=CC=C(C=C3)OC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(S2)NC3=CC=C(C=C3)OC)C)C(C)(C)C

InChI

InChI=1S/C22H27N3OS2/c1-14-11-16(22(3,4)5)12-15(2)19(14)13-27-21-25-24-20(28-21)23-17-7-9-18(26-6)10-8-17/h7-12H,13H2,1-6H3,(H,23,24)