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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CC(=NN2C(=S)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CC(=NN2C(=S)N)C3=CC=C(C=C3)Cl

InChI

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