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

Systemtic Name: 3-methyl-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-1-phenyl-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-methyl-1-phenyl-5-[[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]pyrazole-4-carbonitrile Formula: C27H22N6S MolecularWeight: 462.56878

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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)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C(=NN3C4=CC=CC=C4)C)C#N)C5=CC=CC=C5

InChI

InChI=1S/C27H22N6S/c1-19-13-15-22(16-14-19)32-26(21-9-5-3-6-10-21)29-30-27(32)34-18-25-24(17-28)20(2)31-33(25)23-11-7-4-8-12-23/h3-16H,18H2,1-2H3