ethyl 2-[[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[(4-iodo-1-methyl-3-pyrazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-iodo-1-methylpyrazole-3-carbonyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H18IN5O3S2 MolecularWeight: 555.41239

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=NN(C=C3I)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=NN(C=C3I)C

InChI

InChI=1S/C19H18IN5O3S2/c1-3-28-18(27)12-9-14(11-7-5-4-6-8-11)30-17(12)21-19(29)23-22-16(26)15-13(20)10-25(2)24-15/h4-10H,3H2,1-2H3,(H,22,26)(H2,21,23,29)