4-butyl-3-heptadecyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-butyl-3-heptadecyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-heptadecyl-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-heptadecyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-heptadecyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-heptadecyl-1H-1,2,4-triazole-5-thione Formula: C23H45N3S MolecularWeight: 395.6885

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NNC(=S)N1CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NNC(=S)N1CCCC

InChI

InChI=1S/C23H45N3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-25-23(27)26(22)21-6-4-2/h3-21H2,1-2H3,(H,25,27)