ethyl 1-butyl-3-(phenylcarbamothioylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-butyl-3-(phenylcarbamothioylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-butyl-3-(phenylcarbamothioylamino)pyrazole-4-carboxylate CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-1-butyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-3-(phenylcarbamothioylamino)pyrazole-4-carboxylate Traditional Name: 1-butyl-3-(phenylthiocarbamoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=N1)NC(=S)NC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCN1C=C(C(=N1)NC(=S)NC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C17H22N4O2S/c1-3-5-11-21-12-14(16(22)23-4-2)15(20-21)19-17(24)18-13-9-7-6-8-10-13/h6-10,12H,3-5,11H2,1-2H3,(H2,18,19,20,24)