propan-2-yl 4-[[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[[4-bromo-1-[(2-chlorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[[4-bromo-1-(2-chlorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C20H22BrClN6O2S MolecularWeight: 525.84968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=NN(C=C2Br)CC3=CC=CC=C3Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=NN(C=C2Br)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H22BrClN6O2S/c1-4-27-11-16(17(25-27)19(29)30-12(2)3)23-20(31)24-18-14(21)10-28(26-18)9-13-7-5-6-8-15(13)22/h5-8,10-12H,4,9H2,1-3H3,(H2,23,24,26,31)