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

Systemtic Name: 4-phenyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole-3-thiolate Openeye Name: 4-phenyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole-3-thiolate CAS Name: 4-phenyl-5-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenyl-5-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-phenyl-5-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1,2,4-triazole-3-thiolate Formula: C21H15N6S- MolecularWeight: 383.449

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C3=NN=C(N3C4=CC=CC=C4)[S-])N5C=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C3=NN=C(N3C4=CC=CC=C4)[S-])N5C=CC=C5

InChI

InChI=1S/C21H16N6S/c28-21-24-23-19(26(21)16-9-3-1-4-10-16)18-15-22-27(17-11-5-2-6-12-17)20(18)25-13-7-8-14-25/h1-15H,(H,24,28)/p-1