5-(3,4-dimethoxyphenyl)-3-(1,3-diphenylpyrazol-4-yl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(3,4-dimethoxyphenyl)-3-(1,3-diphenylpyrazol-4-yl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(3,4-dimethoxyphenyl)-3-(1,3-diphenylpyrazol-4-yl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(3,4-dimethoxyphenyl)-3-(1,3-diphenyl-4-pyrazolyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(3,4-dimethoxyphenyl)-3-(1,3-diphenylpyrazol-4-yl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(3,4-dimethoxyphenyl)-5-(1,3-diphenylpyrazol-4-yl)-N-phenyl-2-pyrazoline-1-carbothioamide Formula: C33H29N5O2S MolecularWeight: 559.68066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=S)NC6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=S)NC6=CC=CC=C6)OC

InChI

InChI=1S/C33H29N5O2S/c1-39-30-19-18-24(20-31(30)40-2)28-21-29(38(35-28)33(41)34-25-14-8-4-9-15-25)27-22-37(26-16-10-5-11-17-26)36-32(27)23-12-6-3-7-13-23/h3-20,22,29H,21H2,1-2H3,(H,34,41)