3-(2-chloranyl-3,4-dimethoxy-phenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 3-(2-chloranyl-3,4-dimethoxy-phenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(2-chloro-3,4-dimethoxy-phenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-(2-chloro-3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-(2-chloro-3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(2-chloro-3,4-dimethoxy-phenyl)-3-phenyl-2-pyrazoline-1-carbothioamide Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2CC(=NN2C(=S)N)C3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2CC(=NN2C(=S)N)C3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C18H18ClN3O2S/c1-23-15-9-8-12(16(19)17(15)24-2)14-10-13(21-22(14)18(20)25)11-6-4-3-5-7-11/h3-9,14H,10H2,1-2H3,(H2,20,25)