ethyl N-[3-(ethoxycarbonylcarbamothioylamino)pyrazol-1-yl]carbothioylcarbamate

Systemtic Name: ethyl N-[3-(ethoxycarbonylcarbamothioylamino)pyrazol-1-yl]carbothioylcarbamate Openeye Name: ethyl N-[3-(ethoxycarbonylcarbamothioylamino)pyrazole-1-carbothioyl]carbamate CAS Name: N-[[3-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-1-pyrazolyl]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-(ethoxycarbonylcarbamothioylamino)pyrazole-1-carbothioyl]carbamate Traditional Name: N-[3-(carbethoxythiocarbamoylamino)pyrazole-1-carbothioyl]carbamic acid ethyl ester Formula: C11H15N5O4S2 MolecularWeight: 345.3979

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=NN(C=C1)C(=S)NC(=O)OCC

Isomeric SMILES

CCOC(=O)NC(=S)NC1=NN(C=C1)C(=S)NC(=O)OCC

InChI

InChI=1S/C11H15N5O4S2/c1-3-19-10(17)13-8(21)12-7-5-6-16(15-7)9(22)14-11(18)20-4-2/h5-6H,3-4H2,1-2H3,(H,14,18,22)(H2,12,13,15,17,21)