3-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-methyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-methyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-methyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-methyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-methyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methyl-2-pyrazoline-1-carbothioamide Formula: C18H18ClN3OS MolecularWeight: 359.87302

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3Cl

Isomeric SMILES

CNC(=S)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H18ClN3OS/c1-20-18(24)22-17(14-5-3-4-6-15(14)19)11-16(21-22)12-7-9-13(23-2)10-8-12/h3-10,17H,11H2,1-2H3,(H,20,24)