5-[(4-tert-butylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(4-tert-butylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(4-tert-butylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-tert-butylphenyl)methylthio]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4-tert-butylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-tert-butylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-(4-phenoxyphenyl)amine Formula: C25H25N3OS2 MolecularWeight: 447.6155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(S2)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(S2)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H25N3OS2/c1-25(2,3)19-11-9-18(10-12-19)17-30-24-28-27-23(31-24)26-20-13-15-22(16-14-20)29-21-7-5-4-6-8-21/h4-16H,17H2,1-3H3,(H,26,27)