(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) thiophene-2-carboxylate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) thiophene-2-carboxylate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C21H16N2O2S2 MolecularWeight: 392.49394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O2S2/c1-15-19(27-17-11-6-3-7-12-17)20(25-21(24)18-13-8-14-26-18)23(22-15)16-9-4-2-5-10-16/h2-14H,1H3