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

Systemtic Name: 5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-butoxyphenyl)-4-phenyl-1,2,4-triazole-3-thiolate Formula: C18H18N3OS- MolecularWeight: 324.42002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)[S-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)[S-]

InChI

InChI=1S/C18H19N3OS/c1-2-3-13-22-16-11-9-14(10-12-16)17-19-20-18(23)21(17)15-7-5-4-6-8-15/h4-12H,2-3,13H2,1H3,(H,20,23)/p-1