ethyl N-[[4-(3-chlorophenyl)-1H-pyrazol-5-yl]carbamothioyl]carbamate

Systemtic Name: ethyl N-[[4-(3-chlorophenyl)-1H-pyrazol-5-yl]carbamothioyl]carbamate Openeye Name: ethyl N-[[4-(3-chlorophenyl)-1H-pyrazol-5-yl]carbamothioyl]carbamate CAS Name: N-[[[4-(3-chlorophenyl)-1H-pyrazol-5-yl]amino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[4-(3-chlorophenyl)-1H-pyrazol-5-yl]carbamothioyl]carbamate Traditional Name: N-[[4-(3-chlorophenyl)-1H-pyrazol-5-yl]thiocarbamoyl]carbamic acid ethyl ester Formula: C13H13ClN4O2S MolecularWeight: 324.78592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=C(C=NN1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)NC(=S)NC1=C(C=NN1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H13ClN4O2S/c1-2-20-13(19)17-12(21)16-11-10(7-15-18-11)8-4-3-5-9(14)6-8/h3-7H,2H2,1H3,(H3,15,16,17,18,19,21)