3-(3-bromophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)carbamothioyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3-bromophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)carbamothioyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(3-bromophenyl)-N-[(5-methylisoxazol-3-yl)carbamothioyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(3-bromophenyl)-N-[[(5-methyl-3-isoxazolyl)amino]-sulfanylidenemethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(3-bromophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)carbamothioyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(3-bromophenyl)-N-[(5-methylisoxazol-3-yl)thiocarbamoyl]-1-phenyl-pyrazole-4-carboxamide Formula: C21H16BrN5O2S MolecularWeight: 482.35304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=S)NC(=O)C2=CN(N=C2C3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)NC(=S)NC(=O)C2=CN(N=C2C3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H16BrN5O2S/c1-13-10-18(26-29-13)23-21(30)24-20(28)17-12-27(16-8-3-2-4-9-16)25-19(17)14-6-5-7-15(22)11-14/h2-12H,1H3,(H2,23,24,26,28,30)