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

Systemtic Name: cyclopropyl-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone Openeye Name: cyclopropyl-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone CAS Name: cyclopropyl-[3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]methanone IUPAC Name: cyclopropyl-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]methanone Traditional Name: cyclopropyl-[3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]methanone Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2CC2)C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2CC2)C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O3S/c1-9-14(10(2)17(16-9)15(19)11-3-4-11)22-13-7-5-12(6-8-13)18(20)21/h5-8,11H,3-4H2,1-2H3