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

Systemtic Name: 3-methyl-5-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-5-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-methyl-5-[[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C21H18N6S MolecularWeight: 386.47282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC3=C(C(=NN3C4=CC=CC=C4)C)C#N

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC3=C(C(=NN3C4=CC=CC=C4)C)C#N

InChI

InChI=1S/C21H18N6S/c1-15-8-6-7-11-19(15)26-14-23-24-21(26)28-13-20-18(12-22)16(2)25-27(20)17-9-4-3-5-10-17/h3-11,14H,13H2,1-2H3