(E)-1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]-3-phenyl-prop-2-en-1-one Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3S/c1-14-20(27-18-11-9-17(10-12-18)23(25)26)15(2)22(21-14)19(24)13-8-16-6-4-3-5-7-16/h3-13H,1-2H3/b13-8+