5-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-(3,4-dimethoxyphenyl)-2-pyrazoline-1-carbothioamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=S)N)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=NN2C(=S)N)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C19H19N3O4S/c1-23-15-5-4-12(8-17(15)24-2)14-9-13(21-22(14)19(20)27)11-3-6-16-18(7-11)26-10-25-16/h3-8,14H,9-10H2,1-2H3,(H2,20,27)