3-[2,3-bis(chloranyl)phenyl]-5-(3-bromophenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 3-[2,3-bis(chloranyl)phenyl]-5-(3-bromophenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(3-bromophenyl)-3-(2,3-dichlorophenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(3-bromophenyl)-3-(2,3-dichlorophenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(3-bromophenyl)-3-(2,3-dichlorophenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(3-bromophenyl)-5-(2,3-dichlorophenyl)-2-pyrazoline-1-carbothioamide Formula: C16H12BrCl2N3S MolecularWeight: 429.16158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrCl2N3S/c17-10-4-1-3-9(7-10)13-8-14(22(21-13)16(20)23)11-5-2-6-12(18)15(11)19/h1-7,14H,8H2,(H2,20,23)