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

Systemtic Name: methyl 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(1,3-dimethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(1,3-dimethylpyrazol-4-yl)methylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=NN(C=C1CNC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C19H20N4O2S2/c1-12-14(11-23(2)22-12)10-20-19(26)21-17-15(18(24)25-3)9-16(27-17)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H2,20,21,26)