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

Systemtic Name: ethyl 5-methyl-2-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(1-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(1-methylpyrazol-4-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=CN(N=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC3=CN(N=C3)C

InChI

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