(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-(4-nitrophenyl)methanone

Systemtic Name: (3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-(4-nitrophenyl)methanone Openeye Name: (3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-(4-nitrophenyl)methanone CAS Name: [3,5-dimethyl-4-(phenylthio)-1-pyrazolyl]-(4-nitrophenyl)methanone IUPAC Name: (3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)-(4-nitrophenyl)methanone Traditional Name: [3,5-dimethyl-4-(phenylthio)pyrazol-1-yl]-(4-nitrophenyl)methanone Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)SC3=CC=CC=C3

InChI

InChI=1S/C18H15N3O3S/c1-12-17(25-16-6-4-3-5-7-16)13(2)20(19-12)18(22)14-8-10-15(11-9-14)21(23)24/h3-11H,1-2H3