1-[5-(2-oxidanylidenepropylsulfanyl)-1,2,4-triazol-1-yl]propan-2-one

Systemtic Name: 1-[5-(2-oxidanylidenepropylsulfanyl)-1,2,4-triazol-1-yl]propan-2-one Openeye Name: 1-(5-acetonylsulfanyl-1,2,4-triazol-1-yl)propan-2-one CAS Name: 1-[5-(2-oxopropylthio)-1,2,4-triazol-1-yl]-2-propanone IUPAC Name: 1-[5-(2-oxopropylsulfanyl)-1,2,4-triazol-1-yl]propan-2-one Traditional Name: 1-[5-(acetonylthio)-1,2,4-triazol-1-yl]acetone Formula: C8H11N3O2S MolecularWeight: 213.25684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC=N1)SCC(=O)C

Isomeric SMILES

CC(=O)CN1C(=NC=N1)SCC(=O)C

InChI

InChI=1S/C8H11N3O2S/c1-6(12)3-11-8(9-5-10-11)14-4-7(2)13/h5H,3-4H2,1-2H3