3-heptylsulfanyl-5-octyl-1H-1,2,4-triazole

Systemtic Name: 3-heptylsulfanyl-5-octyl-1H-1,2,4-triazole Openeye Name: 3-heptylsulfanyl-5-octyl-1H-1,2,4-triazole CAS Name: 3-(heptylthio)-5-octyl-1H-1,2,4-triazole IUPAC Name: 3-heptylsulfanyl-5-octyl-1H-1,2,4-triazole Traditional Name: 3-(heptylthio)-5-octyl-1H-1,2,4-triazole Formula: C17H33N3S MolecularWeight: 311.52902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC(=NN1)SCCCCCCC

Isomeric SMILES

CCCCCCCCC1=NC(=NN1)SCCCCCCC

InChI

InChI=1S/C17H33N3S/c1-3-5-7-9-10-12-14-16-18-17(20-19-16)21-15-13-11-8-6-4-2/h3-15H2,1-2H3,(H,18,19,20)