5-methyl-4-(4-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-olate

Systemtic Name: 5-methyl-4-(4-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-olate Openeye Name: 5-methyl-4-(4-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-olate CAS Name: 5-methyl-4-[(4-nitrophenyl)thio]-2-phenyl-3-pyrazololate IUPAC Name: 5-methyl-4-(4-nitrophenyl)sulfanyl-2-phenylpyrazol-3-olate Traditional Name: 5-methyl-4-[(4-nitrophenyl)thio]-2-phenyl-pyrazol-3-olate Formula: C16H12N3O3S- MolecularWeight: 326.34978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3S/c1-11-15(23-14-9-7-13(8-10-14)19(21)22)16(20)18(17-11)12-5-3-2-4-6-12/h2-10,20H,1H3/p-1