4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]-2-butanone IUPAC Name: 4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]butan-2-one Formula: C9H13N3OS2 MolecularWeight: 243.34902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(S1)NC2CC2

Isomeric SMILES

CC(=O)CCSC1=NN=C(S1)NC2CC2

InChI

InChI=1S/C9H13N3OS2/c1-6(13)4-5-14-9-12-11-8(15-9)10-7-2-3-7/h7H,2-5H2,1H3,(H,10,11)