3-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Openeye Name: 3-[(5-isobutylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]azepan-2-one CAS Name: 3-[[5-(2-methylpropylthio)-1,3,4-thiadiazol-2-yl]thio]-2-azepanone IUPAC Name: 3-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-(isobutylthio)-1,3,4-thiadiazol-2-yl]thio]azepan-2-one Formula: C12H19N3OS3 MolecularWeight: 317.49376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(S1)SC2CCCCNC2=O

Isomeric SMILES

CC(C)CSC1=NN=C(S1)SC2CCCCNC2=O

InChI

InChI=1S/C12H19N3OS3/c1-8(2)7-17-11-14-15-12(19-11)18-9-5-3-4-6-13-10(9)16/h8-9H,3-7H2,1-2H3,(H,13,16)