3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-N-phenyl-2-pyrazoline-1-carbothioamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(C(=CC=C3)OC)OC)C(=S)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(C(=CC=C3)OC)OC)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3S/c1-29-19-14-12-17(13-15-19)21-16-22(20-10-7-11-23(30-2)24(20)31-3)28(27-21)25(32)26-18-8-5-4-6-9-18/h4-15,22H,16H2,1-3H3,(H,26,32)