ethyl 3-(butylcarbamothioylamino)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-(butylcarbamothioylamino)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-benzyl-3-(butylcarbamothioylamino)pyrazole-4-carboxylate CAS Name: 3-[[butylamino(sulfanylidene)methyl]amino]-1-(phenylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-(butylcarbamothioylamino)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(butylthiocarbamoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=NN(C=C1C(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=S)NC1=NN(C=C1C(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C18H24N4O2S/c1-3-5-11-19-18(25)20-16-15(17(23)24-4-2)13-22(21-16)12-14-9-7-6-8-10-14/h6-10,13H,3-5,11-12H2,1-2H3,(H2,19,20,21,25)