2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cycloheptan-1-one

Systemtic Name: 2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cycloheptan-1-one Openeye Name: 2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cycloheptanone CAS Name: 2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]-1-cycloheptanone IUPAC Name: 2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cycloheptan-1-one Traditional Name: 2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]cycloheptanone Formula: C13H21N3OS2 MolecularWeight: 299.45534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SC2CCCCCC2=O

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SC2CCCCCC2=O

InChI

InChI=1S/C13H21N3OS2/c1-9(2)8-14-12-15-16-13(19-12)18-11-7-5-3-4-6-10(11)17/h9,11H,3-8H2,1-2H3,(H,14,15)