4-cyclooctyl-3-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-cyclooctyl-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-cyclooctyl-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-cyclooctyl-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-cyclooctyl-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-cyclooctyl-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C16H21N3S MolecularWeight: 287.42304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)N2C(=NNC2=S)C3=CC=CC=C3

Isomeric SMILES

C1CCCC(CCC1)N2C(=NNC2=S)C3=CC=CC=C3

InChI

InChI=1S/C16H21N3S/c20-16-18-17-15(13-9-5-4-6-10-13)19(16)14-11-7-2-1-3-8-12-14/h4-6,9-10,14H,1-3,7-8,11-12H2,(H,18,20)