(E)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-1-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-1-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-3-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]-1-(2-nitrophenyl)prop-2-en-1-one Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2[N+](=O)[O-])CSC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2[N+](=O)[O-])CSC3=CC=CC=N3

InChI

InChI=1S/C22H18N2O4S/c1-28-21-12-10-16(14-17(21)15-29-22-8-4-5-13-23-22)9-11-20(25)18-6-2-3-7-19(18)24(26)27/h2-14H,15H2,1H3/b11-9+