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4-butyl-1H-1,2,4-triazole-5-thione; tridecylbenzene

4-butyl-1H-1,2,4-triazole-5-thione; tridecylbenzene

Systemtic Name:4-butyl-1H-1,2,4-triazole-5-thione; tridecylbenzene
Openeye Name:4-butyl-1H-1,2,4-triazole-5-thione; tridecylbenzene
CAS Name:4-butyl-1H-1,2,4-triazole-5-thione; tridecylbenzene
IUPAC Name:4-butyl-1H-1,2,4-triazole-5-thione; tridecylbenzene
Traditional Name:4-butyl-1H-1,2,4-triazole-5-thione; tridecylbenzene
Formula: C25H43N3S
MolecularWeight: 417.69402
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC=CC=C1.CCCCN1C=NNC1=S


Isomeric SMILES

CCCCCCCCCCCCCC1=CC=CC=C1.CCCCN1C=NNC1=S


InChI

InChI=1S/C19H32.C6H11N3S/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19;1-2-3-4-9-5-7-8-6(9)10/h12,14-15,17-18H,2-11,13,16H2,1H3;5H,2-4H2,1H3,(H,8,10)


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