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

Systemtic Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]-o-phenetyl-amine Formula: C23H29N3OS2 MolecularWeight: 427.62586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=C(C=C(C=C3C)C(C)(C)C)C

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=C(C=C(C=C3C)C(C)(C)C)C

InChI

InChI=1S/C23H29N3OS2/c1-7-27-20-11-9-8-10-19(20)24-21-25-26-22(29-21)28-14-18-15(2)12-17(13-16(18)3)23(4,5)6/h8-13H,7,14H2,1-6H3,(H,24,25)