2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C12H16N4OS2 MolecularWeight: 296.41164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NN=C(S1)SCC(=O)C2=CC=CN2

Isomeric SMILES

CC(C)(C)NC1=NN=C(S1)SCC(=O)C2=CC=CN2

InChI

InChI=1S/C12H16N4OS2/c1-12(2,3)14-10-15-16-11(19-10)18-7-9(17)8-5-4-6-13-8/h4-6,13H,7H2,1-3H3,(H,14,15)