ethyl 5-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC3=CC=NN3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC3=CC=NN3C

InChI

InChI=1S/C20H22N4O2S2/c1-4-26-19(25)17-16(14-8-6-5-7-9-14)13(2)28-18(17)23-20(27)21-12-15-10-11-22-24(15)3/h5-11H,4,12H2,1-3H3,(H2,21,23,27)