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

Systemtic Name: 5-(4-bromophenyl)-3-(2-chloranyl-3,4-dimethoxy-phenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxy-phenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-bromophenyl)-5-(2-chloro-3,4-dimethoxy-phenyl)-2-pyrazoline-1-carbothioamide Formula: C18H17BrClN3O2S MolecularWeight: 454.76848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrClN3O2S/c1-24-15-8-7-12(16(20)17(15)25-2)14-9-13(22-23(14)18(21)26)10-3-5-11(19)6-4-10/h3-8,14H,9H2,1-2H3,(H2,21,26)