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

Systemtic Name: methyl 2-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(1-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-methylpyrazol-4-yl)methylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C18H18N4O2S2 MolecularWeight: 386.49112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1C=C(C=N1)CNC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H18N4O2S2/c1-22-11-12(10-20-22)9-19-18(25)21-16-14(17(23)24-2)8-15(26-16)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3,(H2,19,21,25)