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

Systemtic Name: 4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-2-butanone IUPAC Name: 4-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]butan-2-one Formula: C11H13N3O2S2 MolecularWeight: 283.36982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(S1)NCC2=CC=CO2

Isomeric SMILES

CC(=O)CCSC1=NN=C(S1)NCC2=CC=CO2

InChI

InChI=1S/C11H13N3O2S2/c1-8(15)4-6-17-11-14-13-10(18-11)12-7-9-3-2-5-16-9/h2-3,5H,4,6-7H2,1H3,(H,12,13)