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

Systemtic Name: methyl 5-methyl-2-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(1-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(1-methylpyrazol-4-yl)methylthiocarbamoylamino]-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)NCC2=CN(N=C2)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCC2=CN(N=C2)C)C(=O)OC)C3=CC=CC=C3

InChI

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