3-(2H-1,3,5-triazin-1-yl)octane-1-thiol

Systemtic Name: 3-(2H-1,3,5-triazin-1-yl)octane-1-thiol Openeye Name: 3-(2H-1,3,5-triazin-1-yl)octane-1-thiol CAS Name: 3-(2H-1,3,5-triazin-1-yl)-1-octanethiol IUPAC Name: 3-(2H-1,3,5-triazin-1-yl)octane-1-thiol Traditional Name: 3-(2H-s-triazin-1-yl)octane-1-thiol Formula: C11H21N3S MolecularWeight: 227.36954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCS)N1CN=CN=C1

Isomeric SMILES

CCCCCC(CCS)N1CN=CN=C1

InChI

InChI=1S/C11H21N3S/c1-2-3-4-5-11(6-7-15)14-9-12-8-13-10-14/h8-9,11,15H,2-7,10H2,1H3