5-(3-bromophenyl)-3-(2-propan-2-ylphenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(3-bromophenyl)-3-(2-propan-2-ylphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(3-bromophenyl)-3-(2-isopropylphenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(3-bromophenyl)-3-(2-propan-2-ylphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(3-bromophenyl)-3-(2-propan-2-ylphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(3-bromophenyl)-5-o-cumenyl-2-pyrazoline-1-carbothioamide Formula: C19H20BrN3S MolecularWeight: 402.3512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1C2CC(=NN2C(=S)N)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)C1=CC=CC=C1C2CC(=NN2C(=S)N)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H20BrN3S/c1-12(2)15-8-3-4-9-16(15)18-11-17(22-23(18)19(21)24)13-6-5-7-14(20)10-13/h3-10,12,18H,11H2,1-2H3,(H2,21,24)