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

Systemtic Name: 5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole-3-thiolate Formula: C18H18N3S- MolecularWeight: 308.42062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)[S-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)[S-]

InChI

InChI=1S/C18H19N3S/c1-18(2,3)14-11-9-13(10-12-14)16-19-20-17(22)21(16)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,20,22)/p-1