ethyl 1-[3-(furan-2-ylmethylcarbamothioylamino)pyridin-2-yl]-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-(furan-2-ylmethylcarbamothioylamino)pyridin-2-yl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-(2-furylmethylcarbamothioylamino)-2-pyridyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[3-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-2-pyridinyl]-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(furan-2-ylmethylcarbamothioylamino)pyridin-2-yl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-[3-(2-furfurylthiocarbamoylamino)-2-pyridyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=C(C=CC=N2)NC(=S)NCC3=CC=CO3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=C(C=CC=N2)NC(=S)NCC3=CC=CO3)C

InChI

InChI=1S/C19H21N5O3S/c1-4-26-18(25)16-12(2)23-24(13(16)3)17-15(8-5-9-20-17)22-19(28)21-11-14-7-6-10-27-14/h5-10H,4,11H2,1-3H3,(H2,21,22,28)