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

Systemtic Name: ethyl 2-[(4-methylpyrazol-1-yl)carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-methylpyrazole-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-methyl-1-pyrazolyl)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylpyrazole-1-carbothioyl)amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-methylpyrazole-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2S2/c1-3-23-17(22)14-9-15(13-7-5-4-6-8-13)25-16(14)20-18(24)21-11-12(2)10-19-21/h4-11H,3H2,1-2H3,(H,20,24)