propan-2-yl 1-ethyl-4-(naphthalen-1-ylcarbamothioylamino)pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-(naphthalen-1-ylcarbamothioylamino)pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-(1-naphthylcarbamothioylamino)pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-(naphthalen-1-ylcarbamothioylamino)pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-(1-naphthylthiocarbamoylamino)pyrazole-3-carboxylic acid isopropyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H22N4O2S/c1-4-24-12-17(18(23-24)19(25)26-13(2)3)22-20(27)21-16-11-7-9-14-8-5-6-10-15(14)16/h5-13H,4H2,1-3H3,(H2,21,22,27)