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

Systemtic Name: 1-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]-3,3-dimethyl-butan-2-one Formula: C13H17N3O2S2 MolecularWeight: 311.42298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(S1)NCC2=CC=CO2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(S1)NCC2=CC=CO2

InChI

InChI=1S/C13H17N3O2S2/c1-13(2,3)10(17)8-19-12-16-15-11(20-12)14-7-9-5-4-6-18-9/h4-6H,7-8H2,1-3H3,(H,14,15)