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

Systemtic Name: 4-methyl-3-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-methyl-3-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-methyl-3-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-methyl-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-methyl-3-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)-1H-1,2,4-triazole-5-thione Formula: C16H14N6S MolecularWeight: 322.38756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CN1C(=NNC1=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)