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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SC2CCCCCC2=O

Isomeric SMILES

CCCCNC1=NN=C(S1)SC2CCCCCC2=O

InChI

InChI=1S/C13H21N3OS2/c1-2-3-9-14-12-15-16-13(19-12)18-11-8-6-4-5-7-10(11)17/h11H,2-9H2,1H3,(H,14,15)