3-butylsulfanyl-4-methyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-butylsulfanyl-4-methyl-1H-1,2,4-triazol-5-one Openeye Name: 3-butylsulfanyl-4-methyl-1H-1,2,4-triazol-5-one CAS Name: 3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-butylsulfanyl-4-methyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-one Formula: C7H13N3OS MolecularWeight: 187.26262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NNC(=O)N1C

Isomeric SMILES

CCCCSC1=NNC(=O)N1C

InChI

InChI=1S/C7H13N3OS/c1-3-4-5-12-7-9-8-6(11)10(7)2/h3-5H2,1-2H3,(H,8,11)