1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]-2-phenylethanone IUPAC Name: 1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-2-phenylethanone Traditional Name: 1-[3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]-2-phenyl-ethanone Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)CC2=CC=CC=C2)C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)CC2=CC=CC=C2)C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O3S/c1-13-19(26-17-10-8-16(9-11-17)22(24)25)14(2)21(20-13)18(23)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3