3-heptadecyl-4-pyridin-3-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-heptadecyl-4-pyridin-3-yl-1H-1,2,4-triazole-5-thione Openeye Name: 3-heptadecyl-4-(3-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-heptadecyl-4-(3-pyridinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-heptadecyl-4-pyridin-3-yl-1H-1,2,4-triazole-5-thione Traditional Name: 3-heptadecyl-4-(3-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C24H40N4S MolecularWeight: 416.6662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NNC(=S)N1C2=CN=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NNC(=S)N1C2=CN=CC=C2

InChI

InChI=1S/C24H40N4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-26-27-24(29)28(23)22-18-17-20-25-21-22/h17-18,20-21H,2-16,19H2,1H3,(H,27,29)