1-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one

Systemtic Name: 1-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Openeye Name: 1-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]-2-propanone IUPAC Name: 1-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetone Formula: C9H9N3OS2 MolecularWeight: 239.31726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NNC(=N1)C2=CC=CS2

Isomeric SMILES

CC(=O)CSC1=NNC(=N1)C2=CC=CS2

InChI

InChI=1S/C9H9N3OS2/c1-6(13)5-15-9-10-8(11-12-9)7-3-2-4-14-7/h2-4H,5H2,1H3,(H,10,11,12)