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

Systemtic Name: 5-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(3-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(3-chlorophenyl)-5-phenyl-2-pyrazoline-1-carbothioamide Formula: C16H14ClN3S MolecularWeight: 315.82046

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC(=CC=C2)Cl)C(=S)N)C3=CC=CC=C3

Isomeric SMILES

C1C(N(N=C1C2=CC(=CC=C2)Cl)C(=S)N)C3=CC=CC=C3

InChI

InChI=1S/C16H14ClN3S/c17-13-8-4-7-12(9-13)14-10-15(20(19-14)16(18)21)11-5-2-1-3-6-11/h1-9,15H,10H2,(H2,18,21)