3-[[2-(4-bromanylphenoxy)ethyl-methyl-amino]methyl]-5-(tert-butylamino)-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[2-(4-bromanylphenoxy)ethyl-methyl-amino]methyl]-5-(tert-butylamino)-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[2-(4-bromophenoxy)ethyl-methyl-amino]methyl]-5-(tert-butylamino)-1,3,4-thiadiazole-2-thione CAS Name: 3-[[2-(4-bromophenoxy)ethyl-methylamino]methyl]-5-(tert-butylamino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[2-(4-bromophenoxy)ethyl-methylamino]methyl]-5-(tert-butylamino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[2-(4-bromophenoxy)ethyl-methyl-amino]methyl]-5-(tert-butylamino)-1,3,4-thiadiazole-2-thione Formula: C16H23BrN4OS2 MolecularWeight: 431.41402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NN(C(=S)S1)CN(C)CCOC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)NC1=NN(C(=S)S1)CN(C)CCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H23BrN4OS2/c1-16(2,3)18-14-19-21(15(23)24-14)11-20(4)9-10-22-13-7-5-12(17)6-8-13/h5-8H,9-11H2,1-4H3,(H,18,19)