3-chloranyl-2-(1-sulfanylbutyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-chloranyl-2-(1-sulfanylbutyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-chloro-2-(1-sulfanylbutyl)-1H-1,2,4-triazol-5-one CAS Name: 3-chloro-2-(1-mercaptobutyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-chloro-2-(1-sulfanylbutyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-chloro-2-(1-mercaptobutyl)-1H-1,2,4-triazol-5-one Formula: C6H10ClN3OS MolecularWeight: 207.6811

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N1C(=NC(=O)N1)Cl)S

Isomeric SMILES

CCCC(N1C(=NC(=O)N1)Cl)S

InChI

InChI=1S/C6H10ClN3OS/c1-2-3-4(12)10-5(7)8-6(11)9-10/h4,12H,2-3H2,1H3,(H,9,11)