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

Systemtic Name: 5-[(4-tert-butylphenyl)methylsulfanyl]-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(4-tert-butylphenyl)methylsulfanyl]-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-tert-butylphenyl)methylthio]-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4-tert-butylphenyl)methylsulfanyl]-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-tert-butylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-(2,3-dimethylphenyl)amine Formula: C21H25N3S2 MolecularWeight: 383.5733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C21H25N3S2/c1-14-7-6-8-18(15(14)2)22-19-23-24-20(26-19)25-13-16-9-11-17(12-10-16)21(3,4)5/h6-12H,13H2,1-5H3,(H,22,23)