[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-pyridin-3-yl-methanone Openeye Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-(3-pyridyl)methanone CAS Name: [3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]-(3-pyridinyl)methanone IUPAC Name: [3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-pyridin-3-ylmethanone Traditional Name: [3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]-(3-pyridyl)methanone Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O3S/c1-11-16(25-15-7-5-14(6-8-15)21(23)24)12(2)20(19-11)17(22)13-4-3-9-18-10-13/h3-10H,1-2H3