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

Systemtic Name: 5-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-tert-butylphenyl)methylthio]-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4-tert-butylphenyl)methylsulfanyl]-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-tert-butylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-o-phenetyl-amine Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H25N3OS2/c1-5-25-18-9-7-6-8-17(18)22-19-23-24-20(27-19)26-14-15-10-12-16(13-11-15)21(2,3)4/h6-13H,5,14H2,1-4H3,(H,22,23)