4-propyl-3-(sulfanylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-propyl-3-(sulfanylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-propyl-3-(sulfanylmethyl)-1H-1,2,4-triazol-5-one CAS Name: 3-(mercaptomethyl)-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 4-propyl-3-(sulfanylmethyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-(mercaptomethyl)-4-propyl-1H-1,2,4-triazol-5-one Formula: C6H11N3OS MolecularWeight: 173.23604

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NNC1=O)CS

Isomeric SMILES

CCCN1C(=NNC1=O)CS

InChI

InChI=1S/C6H11N3OS/c1-2-3-9-5(4-11)7-8-6(9)10/h11H,2-4H2,1H3,(H,8,10)