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

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] methanesulfonate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] methanesulfonate CAS Name: methanesulfonic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S2/c1-12-16(26-15-11-7-6-10-14(15)20(21)22)17(25-27(2,23)24)19(18-12)13-8-4-3-5-9-13/h3-11H,1-2H3