(3R)-3-(3,4-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: (3R)-3-(3,4-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: (3R)-3-(3,4-dimethoxyphenyl)-N-phenyl-5-(2-thienyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: (3R)-3-(3,4-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: (3R)-3-(3,4-dimethoxyphenyl)-N-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: (5R)-5-(3,4-dimethoxyphenyl)-N-phenyl-3-(2-thienyl)-2-pyrazoline-1-carbothioamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=S)NC3=CC=CC=C3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=NN2C(=S)NC3=CC=CC=C3)C4=CC=CS4)OC

InChI

InChI=1S/C22H21N3O2S2/c1-26-19-11-10-15(13-20(19)27-2)18-14-17(21-9-6-12-29-21)24-25(18)22(28)23-16-7-4-3-5-8-16/h3-13,18H,14H2,1-2H3,(H,23,28)/t18-/m1/s1