[5-methyl-4-(4-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] thiophene-2-carboxylate

Systemtic Name: [5-methyl-4-(4-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] thiophene-2-carboxylate Openeye Name: [5-methyl-4-(4-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [5-methyl-4-[(4-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [5-methyl-4-[(4-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C21H15N3O4S2 MolecularWeight: 437.4915

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H15N3O4S2/c1-14-19(30-17-11-9-16(10-12-17)24(26)27)20(28-21(25)18-8-5-13-29-18)23(22-14)15-6-3-2-4-7-15/h2-13H,1H3