(E)-1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)but-3-en-2-one

Systemtic Name: (E)-1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)but-3-en-2-one Openeye Name: (E)-1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)but-3-en-2-one CAS Name: (E)-1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)-3-buten-2-one IUPAC Name: (E)-1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)but-3-en-2-one Traditional Name: (E)-1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)but-3-en-2-one Formula: C20H17NO4S2 MolecularWeight: 399.48328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C2SCCS2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=C2SCCS2)C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17NO4S2/c1-25-17-9-5-15(6-10-17)19(20-26-12-13-27-20)18(22)11-4-14-2-7-16(8-3-14)21(23)24/h2-11H,12-13H2,1H3/b11-4+