ethyl 5-azanyl-1-phenyl-3-(phenylcarbamothioyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-phenyl-3-(phenylcarbamothioyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-phenyl-3-(phenylcarbamothioyl)pyrazole-4-carboxylate CAS Name: 5-amino-3-[anilino(sulfanylidene)methyl]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-phenyl-3-(phenylcarbamothioyl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-phenyl-3-(phenylthiocarbamoyl)pyrazole-4-carboxylic acid ethyl ester Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(=S)NC2=CC=CC=C2)C3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(=S)NC2=CC=CC=C2)C3=CC=CC=C3)N

InChI

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