ethyl 1-phenyl-5-(phenylcarbamothioylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-phenyl-5-(phenylcarbamothioylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-phenyl-5-(phenylcarbamothioylamino)pyrazole-4-carboxylate CAS Name: 5-[[anilino(sulfanylidene)methyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-5-(phenylcarbamothioylamino)pyrazole-4-carboxylate Traditional Name: 1-phenyl-5-(phenylthiocarbamoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C19H18N4O2S MolecularWeight: 366.43682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O2S/c1-2-25-18(24)16-13-20-23(15-11-7-4-8-12-15)17(16)22-19(26)21-14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H2,21,22,26)