4-cyclohexyl-3-(3-oxidanyloctyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-cyclohexyl-3-(3-oxidanyloctyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-cyclohexyl-3-(3-hydroxyoctyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-cyclohexyl-3-(3-hydroxyoctyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-cyclohexyl-3-(3-hydroxyoctyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-cyclohexyl-3-(3-hydroxyoctyl)-1H-1,2,4-triazole-5-thione Formula: C16H29N3OS MolecularWeight: 311.48596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC1=NNC(=S)N1C2CCCCC2)O

Isomeric SMILES

CCCCCC(CCC1=NNC(=S)N1C2CCCCC2)O

InChI

InChI=1S/C16H29N3OS/c1-2-3-5-10-14(20)11-12-15-17-18-16(21)19(15)13-8-6-4-7-9-13/h13-14,20H,2-12H2,1H3,(H,18,21)