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

Systemtic Name: ethyl 1-[5-(carbamothioylamino)pyridin-2-yl]-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[5-(carbamothioylamino)-2-pyridyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[5-(carbamothioylamino)-2-pyridinyl]-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(carbamothioylamino)pyridin-2-yl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-(5-thioureido-2-pyridyl)pyrazole-4-carboxylic acid ethyl ester Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=NC=C(C=C2)NC(=S)N)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=NC=C(C=C2)NC(=S)N)C

InChI

InChI=1S/C14H17N5O2S/c1-4-21-13(20)12-8(2)18-19(9(12)3)11-6-5-10(7-16-11)17-14(15)22/h5-7H,4H2,1-3H3,(H3,15,17,22)