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

Systemtic Name: (E)-1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]-3-(4-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-14-21(29-19-11-7-17(8-12-19)24(26)27)15(2)23(22-14)20(25)13-6-16-4-9-18(28-3)10-5-16/h4-13H,1-3H3/b13-6+