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

Systemtic Name: methyl 5-methyl-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[sulfanylidene-[(1,3,5-trimethyl-4-pyrazolyl)methylamino]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)CNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H24N4O2S2/c1-12-16(13(2)25(4)24-12)11-22-21(28)23-19-18(20(26)27-5)17(14(3)29-19)15-9-7-6-8-10-15/h6-10H,11H2,1-5H3,(H2,22,23,28)