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

Systemtic Name: 5-(3-bromophenyl)-N-methyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(3-bromophenyl)-N-methyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(3-bromophenyl)-N-methyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(3-bromophenyl)-N-methyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(3-bromophenyl)-N-methyl-2-pyrazoline-1-carbothioamide Formula: C11H12BrN3S MolecularWeight: 298.20208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCC(=N1)C2=CC(=CC=C2)Br

Isomeric SMILES

CNC(=S)N1CCC(=N1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C11H12BrN3S/c1-13-11(16)15-6-5-10(14-15)8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3,(H,13,16)