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

Systemtic Name: ethyl 5-methyl-2-[(4-methylpyrazol-1-yl)carbothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(4-methylpyrazole-1-carbothioyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(4-methyl-1-pyrazolyl)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(4-methylpyrazole-1-carbothioyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-methylpyrazole-1-carbothioyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3C=C(C=N3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3C=C(C=N3)C

InChI

InChI=1S/C19H19N3O2S2/c1-4-24-18(23)16-15(14-8-6-5-7-9-14)13(3)26-17(16)21-19(25)22-11-12(2)10-20-22/h5-11H,4H2,1-3H3,(H,21,25)