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

Systemtic Name: ethyl 2-[(1-ethyl-5-methyl-pyrazol-4-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-ethyl-5-methyl-pyrazol-4-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-5-methyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-ethyl-5-methylpyrazol-4-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-ethyl-5-methyl-pyrazol-4-yl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C=N1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C20H22N4O2S2/c1-4-24-13(3)16(12-21-24)22-20(27)23-18-15(19(25)26-5-2)11-17(28-18)14-9-7-6-8-10-14/h6-12H,4-5H2,1-3H3,(H2,22,23,27)