3-(1,3-diphenylpyrazol-4-yl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 3-(1,3-diphenylpyrazol-4-yl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(1,3-diphenylpyrazol-4-yl)-N-methyl-5-(p-tolyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-(1,3-diphenyl-4-pyrazolyl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-(1,3-diphenylpyrazol-4-yl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(1,3-diphenylpyrazol-4-yl)-N-methyl-3-(p-tolyl)-2-pyrazoline-1-carbothioamide Formula: C27H25N5S MolecularWeight: 451.5859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=S)NC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=S)NC

InChI

InChI=1S/C27H25N5S/c1-19-13-15-20(16-14-19)24-17-25(32(29-24)27(33)28-2)23-18-31(22-11-7-4-8-12-22)30-26(23)21-9-5-3-6-10-21/h3-16,18,25H,17H2,1-2H3,(H,28,33)