propan-2-yl 4-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[[3-(3,5-dimethyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamothioylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[3-(3,5-dimethylpyrazol-1-yl)propylthiocarbamoylamino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C18H28N6O2S MolecularWeight: 392.51892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCCCN2C(=CC(=N2)C)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCCCN2C(=CC(=N2)C)C

InChI

InChI=1S/C18H28N6O2S/c1-6-23-11-15(16(22-23)17(25)26-12(2)3)20-18(27)19-8-7-9-24-14(5)10-13(4)21-24/h10-12H,6-9H2,1-5H3,(H2,19,20,27)