5-methyl-3-tridecylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-methyl-3-tridecylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-methyl-3-tridecylsulfanyl-1H-1,2,4-triazole CAS Name: 5-methyl-3-(tridecylthio)-1H-1,2,4-triazole IUPAC Name: 5-methyl-3-tridecylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-methyl-3-(tridecylthio)-1H-1,2,4-triazole Formula: C16H31N3S MolecularWeight: 297.50244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCSC1=NNC(=N1)C

Isomeric SMILES

CCCCCCCCCCCCCSC1=NNC(=N1)C

InChI

InChI=1S/C16H31N3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-16-17-15(2)18-19-16/h3-14H2,1-2H3,(H,17,18,19)