3-methyl-5-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-5-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-5-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-methyl-5-[[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C22H20N6S MolecularWeight: 400.4994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C(=NN3C4=CC=CC=C4)C)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C(=NN3C4=CC=CC=C4)C)C#N)C

InChI

InChI=1S/C22H20N6S/c1-15-9-11-18(12-10-15)27-17(3)24-25-22(27)29-14-21-20(13-23)16(2)26-28(21)19-7-5-4-6-8-19/h4-12H,14H2,1-3H3