5-(4-bromophenyl)-N-(2-methylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-bromophenyl)-N-(2-methylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(4-bromophenyl)-N-(o-tolyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-bromophenyl)-N-(2-methylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-bromophenyl)-N-(2-methylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(4-bromophenyl)-N-(o-tolyl)-5-phenyl-2-pyrazoline-1-carbothioamide Formula: C23H20BrN3S MolecularWeight: 450.394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H20BrN3S/c1-16-7-5-6-10-20(16)25-23(28)27-22(18-8-3-2-4-9-18)15-21(26-27)17-11-13-19(24)14-12-17/h2-14,22H,15H2,1H3,(H,25,28)