5-(1-benzofuran-2-yl)-3-(4-chlorophenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(1-benzofuran-2-yl)-3-(4-chlorophenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(benzofuran-2-yl)-3-(4-chlorophenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(2-benzofuranyl)-3-(4-chlorophenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(1-benzofuran-2-yl)-3-(4-chlorophenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(benzofuran-2-yl)-5-(4-chlorophenyl)-2-pyrazoline-1-carbothioamide Formula: C18H14ClN3OS MolecularWeight: 355.84126

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC3=CC=CC=C3O2)C(=S)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C(N(N=C1C2=CC3=CC=CC=C3O2)C(=S)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H14ClN3OS/c19-13-7-5-11(6-8-13)15-10-14(21-22(15)18(20)24)17-9-12-3-1-2-4-16(12)23-17/h1-9,15H,10H2,(H2,20,24)