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

Systemtic Name: ethyl 5-methyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(1-methyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(1-methylpyrazol-3-yl)thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NN(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NN(C=C3)C

InChI

InChI=1S/C19H20N4O2S2/c1-4-25-18(24)16-15(13-8-6-5-7-9-13)12(2)27-17(16)21-19(26)20-14-10-11-23(3)22-14/h5-11H,4H2,1-3H3,(H2,20,21,22,26)