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

Systemtic Name: 3-(2-chloranyl-3,4-dimethoxy-phenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(2-chloro-3,4-dimethoxy-phenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-(2-chloro-3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-(2-chloro-3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(2-chloro-3,4-dimethoxy-phenyl)-3-(4-methoxyphenyl)-2-pyrazoline-1-carbothioamide Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(C(=C(C=C3)OC)OC)Cl)C(=S)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(C(=C(C=C3)OC)OC)Cl)C(=S)N

InChI

InChI=1S/C19H20ClN3O3S/c1-24-12-6-4-11(5-7-12)14-10-15(23(22-14)19(21)27)13-8-9-16(25-2)18(26-3)17(13)20/h4-9,15H,10H2,1-3H3,(H2,21,27)