ethyl N-[3-(3-oxidanylidene-1,2-dihydropyrazol-4-yl)propylcarbamothioyl]carbamate

Systemtic Name: ethyl N-[3-(3-oxidanylidene-1,2-dihydropyrazol-4-yl)propylcarbamothioyl]carbamate Openeye Name: ethyl N-[3-(3-oxo-1,2-dihydropyrazol-4-yl)propylcarbamothioyl]carbamate CAS Name: N-[[3-(3-oxo-1,2-dihydropyrazol-4-yl)propylamino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-(3-oxo-1,2-dihydropyrazol-4-yl)propylcarbamothioyl]carbamate Traditional Name: N-[3-(3-keto-3-pyrazolin-4-yl)propylthiocarbamoyl]carbamic acid ethyl ester Formula: C10H16N4O3S MolecularWeight: 272.32404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NCCCC1=CNNC1=O

Isomeric SMILES

CCOC(=O)NC(=S)NCCCC1=CNNC1=O

InChI

InChI=1S/C10H16N4O3S/c1-2-17-10(16)13-9(18)11-5-3-4-7-6-12-14-8(7)15/h6H,2-5H2,1H3,(H2,12,14,15)(H2,11,13,16,18)