5-propyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-propyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-propyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-propyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-propyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-mesityl-5-propyl-1,2,4-triazole-3-thiolate Formula: C14H18N3S- MolecularWeight: 260.37782

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=C(C=C(C=C2C)C)C)[S-]

Isomeric SMILES

CCCC1=NN=C(N1C2=C(C=C(C=C2C)C)C)[S-]

InChI

InChI=1S/C14H19N3S/c1-5-6-12-15-16-14(18)17(12)13-10(3)7-9(2)8-11(13)4/h7-8H,5-6H2,1-4H3,(H,16,18)/p-1