2-(7-chloranyl-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-octyl-decanenitrile

Systemtic Name: 2-(7-chloranyl-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-octyl-decanenitrile Openeye Name: 2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-octyl-decanenitrile CAS Name: 2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-octyldecanenitrile IUPAC Name: 2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-octyldecanenitrile Traditional Name: 2-(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-2-octyl-capronitrile Formula: C23H38ClN5 MolecularWeight: 420.03432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(C#N)C1=NN=C2N1NC(=C2Cl)C

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(C#N)C1=NN=C2N1NC(=C2Cl)C

InChI

InChI=1S/C23H38ClN5/c1-4-6-8-10-12-14-16-23(18-25,17-15-13-11-9-7-5-2)22-27-26-21-20(24)19(3)28-29(21)22/h28H,4-17H2,1-3H3