3-(4-chlorophenyl)-4-oxidanyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 3-(4-chlorophenyl)-4-oxidanyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(4-chlorophenyl)-4-hydroxy-5-(2-thienyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-(4-chlorophenyl)-4-hydroxy-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-(4-chlorophenyl)-4-hydroxy-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(4-chlorophenyl)-4-hydroxy-3-(2-thienyl)-2-pyrazoline-1-carbothioamide Formula: C14H12ClN3OS2 MolecularWeight: 337.84758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN(C(C2O)C3=CC=C(C=C3)Cl)C(=S)N

Isomeric SMILES

C1=CSC(=C1)C2=NN(C(C2O)C3=CC=C(C=C3)Cl)C(=S)N

InChI

InChI=1S/C14H12ClN3OS2/c15-9-5-3-8(4-6-9)12-13(19)11(10-2-1-7-21-10)17-18(12)14(16)20/h1-7,12-13,19H,(H2,16,20)