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

Systemtic Name: 4-(2,6-diethylphenyl)-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,6-diethylphenyl)-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-(2,6-diethylphenyl)-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,6-diethylphenyl)-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,6-diethylphenyl)-5-propyl-1,2,4-triazole-3-thiolate Formula: C15H20N3S- MolecularWeight: 274.4044

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=C(C=CC=C2CC)CC)[S-]

Isomeric SMILES

CCCC1=NN=C(N1C2=C(C=CC=C2CC)CC)[S-]

InChI

InChI=1S/C15H21N3S/c1-4-8-13-16-17-15(19)18(13)14-11(5-2)9-7-10-12(14)6-3/h7,9-10H,4-6,8H2,1-3H3,(H,17,19)/p-1