3-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-6-nitro-chromen-2-one

Systemtic Name: 3-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-6-nitro-chromen-2-one Openeye Name: 6-nitro-3-[2-phenyl-5-(p-tolyl)thiazol-4-yl]chromen-2-one CAS Name: 3-[5-(4-methylphenyl)-2-phenyl-4-thiazolyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]-6-nitrochromen-2-one Traditional Name: 6-nitro-3-[2-phenyl-5-(p-tolyl)thiazol-4-yl]coumarin Formula: C25H16N2O4S MolecularWeight: 440.47054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(S2)C3=CC=CC=C3)C4=CC5=C(C=CC(=C5)[N+](=O)[O-])OC4=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(S2)C3=CC=CC=C3)C4=CC5=C(C=CC(=C5)[N+](=O)[O-])OC4=O

InChI

InChI=1S/C25H16N2O4S/c1-15-7-9-16(10-8-15)23-22(26-24(32-23)17-5-3-2-4-6-17)20-14-18-13-19(27(29)30)11-12-21(18)31-25(20)28/h2-14H,1H3