5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-one

Systemtic Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-one Openeye Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-one CAS Name: 5-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-pentanone IUPAC Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-one Traditional Name: 5-[(4-methyl-1,2,4-triazol-3-yl)thio]pentan-2-one Formula: C8H13N3OS MolecularWeight: 199.27332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCSC1=NN=CN1C

Isomeric SMILES

CC(=O)CCCSC1=NN=CN1C

InChI

InChI=1S/C8H13N3OS/c1-7(12)4-3-5-13-8-10-9-6-11(8)2/h6H,3-5H2,1-2H3