5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-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=C(C=C3)Cl)OC

Isomeric SMILES

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

InChI

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