4-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[4-amino-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2N)SCCC(=O)C

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2N)SCCC(=O)C

InChI

InChI=1S/C11H14N4O2S/c1-7(16)4-6-18-11-14-13-10(15(11)12)9-3-5-17-8(9)2/h3,5H,4,6,12H2,1-2H3