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

Systemtic Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-N-phenyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]-phenyl-amine Formula: C21H25N3S2 MolecularWeight: 383.5733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NN=C(S2)NC3=CC=CC=C3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NN=C(S2)NC3=CC=CC=C3)C)C(C)(C)C

InChI

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