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

Systemtic Name: (3S)-3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide Openeye Name: (3S)-3-(3,4-dimethoxyphenyl)-5-(2-furyl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide CAS Name: (3S)-3-(3,4-dimethoxyphenyl)-5-(2-furanyl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide IUPAC Name: (3S)-3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide Traditional Name: (5S)-5-(3,4-dimethoxyphenyl)-3-(2-furyl)-N-phenyl-3-pyrazoline-1-carbothioamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C=C(NN2C(=S)NC3=CC=CC=C3)C4=CC=CO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2C=C(NN2C(=S)NC3=CC=CC=C3)C4=CC=CO4)OC

InChI

InChI=1S/C22H21N3O3S/c1-26-20-11-10-15(13-21(20)27-2)18-14-17(19-9-6-12-28-19)24-25(18)22(29)23-16-7-4-3-5-8-16/h3-14,18,24H,1-2H3,(H,23,29)/t18-/m0/s1