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

Systemtic Name: 3-(4-bromophenyl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(4-bromophenyl)-N-methyl-5-(p-tolyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-(4-bromophenyl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-(4-bromophenyl)-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(4-bromophenyl)-N-methyl-3-(p-tolyl)-2-pyrazoline-1-carbothioamide Formula: C18H18BrN3S MolecularWeight: 388.32462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Br)C(=S)NC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Br)C(=S)NC

InChI

InChI=1S/C18H18BrN3S/c1-12-3-5-13(6-4-12)16-11-17(22(21-16)18(23)20-2)14-7-9-15(19)10-8-14/h3-10,17H,11H2,1-2H3,(H,20,23)