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

Systemtic Name: 5-(3-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(3-bromophenyl)-3-(p-tolyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(3-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(3-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(3-bromophenyl)-5-(p-tolyl)-2-pyrazoline-1-carbothioamide Formula: C17H16BrN3S MolecularWeight: 374.29804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=S)N)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C(=S)N)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H16BrN3S/c1-11-5-7-12(8-6-11)16-10-15(20-21(16)17(19)22)13-3-2-4-14(18)9-13/h2-9,16H,10H2,1H3,(H2,19,22)