3-(3,4-dimethoxyphenyl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-methyl-5-(p-tolyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(3,4-dimethoxyphenyl)-N-methyl-3-(p-tolyl)-2-pyrazoline-1-carbothioamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C=C3)OC)OC)C(=S)NC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C=C3)OC)OC)C(=S)NC

InChI

InChI=1S/C20H23N3O2S/c1-13-5-7-14(8-6-13)16-12-17(23(22-16)20(26)21-2)15-9-10-18(24-3)19(11-15)25-4/h5-11,17H,12H2,1-4H3,(H,21,26)