5-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-2-one

Systemtic Name: 5-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-2-one Openeye Name: 5-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-2-one CAS Name: 5-(1H-1,2,4-triazol-5-ylthio)-2-pentanone IUPAC Name: 5-(1H-1,2,4-triazol-5-ylsulfanyl)pentan-2-one Traditional Name: 5-(1H-1,2,4-triazol-5-ylthio)pentan-2-one Formula: C7H11N3OS MolecularWeight: 185.24674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCSC1=NC=NN1

Isomeric SMILES

CC(=O)CCCSC1=NC=NN1

InChI

InChI=1S/C7H11N3OS/c1-6(11)3-2-4-12-7-8-5-9-10-7/h5H,2-4H2,1H3,(H,8,9,10)