4-methyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-methyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole-3-thiolate Openeye Name: 4-methyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole-3-thiolate CAS Name: 4-methyl-5-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-methyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-methyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole-3-thiolate Formula: C16H13N6S- MolecularWeight: 321.37962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1[S-])C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CN1C(=NN=C1[S-])C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C16H14N6S/c1-20-14(18-19-16(20)23)13-11-17-22(12-7-3-2-4-8-12)15(13)21-9-5-6-10-21/h2-11H,1H3,(H,19,23)/p-1