ethyl N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]carbamate

Systemtic Name: ethyl N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]carbamate Openeye Name: ethyl N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylamino]carbamate CAS Name: N-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]carbamate Traditional Name: N-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]carbamic acid ethyl ester Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NNC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCOC(=O)NNC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C15H19N5O3S/c1-4-23-15(22)18-17-14(24)16-12-10(2)19(3)20(13(12)21)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,18,22)(H2,16,17,24)