4-(4-tert-butylphenyl)-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-tert-butylphenyl)-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-tert-butylphenyl)-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-(4-tert-butylphenyl)-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-tert-butylphenyl)-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-tert-butylphenyl)-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=CC=C(C=C2)C(C)(C)C)[S-]

Isomeric SMILES

CCCC1=NN=C(N1C2=CC=C(C=C2)C(C)(C)C)[S-]

InChI

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