5-cyclohexyl-1-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-cyclohexyl-1-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-cyclohexyl-1-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-cyclohexyl-1-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-cyclohexyl-1-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-cyclohexyl-1-phenyl-1,2,4-triazole-3-thiolate Formula: C14H16N3S- MolecularWeight: 258.36194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)[S-]

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)[S-]

InChI

InChI=1S/C14H17N3S/c18-14-15-13(11-7-3-1-4-8-11)17(16-14)12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H,16,18)/p-1