5-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-2-pyrazoline-1-carbothioamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C(C2)C3=CC(=C(C(=C3)OC)OC)OC)C(=S)N

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C(C2)C3=CC(=C(C(=C3)OC)OC)OC)C(=S)N

InChI

InChI=1S/C20H23N3O4S/c1-24-16-8-6-5-7-13(16)14-11-15(23(22-14)20(21)28)12-9-17(25-2)19(27-4)18(10-12)26-3/h5-10,15H,11H2,1-4H3,(H2,21,28)