3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-phenyl-3-[3-(p-tolyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-phenyl-3-[3-(p-tolyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione Formula: C18H15N5S MolecularWeight: 333.4102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C18H15N5S/c1-12-7-9-13(10-8-12)15-11-16(20-19-15)17-21-22-18(24)23(17)14-5-3-2-4-6-14/h2-11H,1H3,(H,19,20)(H,22,24)