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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CN(N=C2C)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CN(N=C2C)C)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O2S2/c1-11-14(10-23(3)22-11)20-19(26)21-17-16(18(24)25-4)15(12(2)27-17)13-8-6-5-7-9-13/h5-10H,1-4H3,(H2,20,21,26)