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

Systemtic Name: methyl 2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-ethyl-3-methylpyrazol-4-yl)methylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CNC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=N1)C)CNC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

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