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

Systemtic Name: 3-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one CAS Name: 3-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-2-azepanone IUPAC Name: 3-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]azepan-2-one Formula: C13H16N4O2S2 MolecularWeight: 324.42174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NN=C(S2)NCC3=CC=CO3

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NN=C(S2)NCC3=CC=CO3

InChI

InChI=1S/C13H16N4O2S2/c18-11-10(5-1-2-6-14-11)20-13-17-16-12(21-13)15-8-9-4-3-7-19-9/h3-4,7,10H,1-2,5-6,8H2,(H,14,18)(H,15,16)