ethyl 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

InChI

InChI=1S/C20H22N4O3S2/c1-5-27-19(26)17-12(2)11-15(29-17)21-20(28)22-16-13(3)23(4)24(18(16)25)14-9-7-6-8-10-14/h6-11H,5H2,1-4H3,(H2,21,22,28)