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

Systemtic Name: methyl 5-methyl-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[sulfanylidene-[(1,3,5-trimethyl-4-pyrazolyl)amino]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S2/c1-11-17(12(2)24(4)23-11)21-20(27)22-18-16(19(25)26-5)15(13(3)28-18)14-9-7-6-8-10-14/h6-10H,1-5H3,(H2,21,22,27)