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

Systemtic Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-N-(m-tolyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]-(m-tolyl)amine Formula: C22H27N3S2 MolecularWeight: 397.59988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN=C(S2)SCC3=C(C=C(C=C3C)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN=C(S2)SCC3=C(C=C(C=C3C)C(C)(C)C)C

InChI

InChI=1S/C22H27N3S2/c1-14-8-7-9-18(10-14)23-20-24-25-21(27-20)26-13-19-15(2)11-17(12-16(19)3)22(4,5)6/h7-12H,13H2,1-6H3,(H,23,24)