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

Systemtic Name: 3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(4-chlorophenyl)-3-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)C(=S)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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