4-methyl-7-[2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]chromen-2-one Openeye Name: 4-methyl-7-[2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]chromen-2-one CAS Name: 4-methyl-7-[2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]ethoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]chromen-2-one Traditional Name: 4-methyl-7-[2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]ethoxy]coumarin Formula: C20H15N3O6S MolecularWeight: 425.4146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCCSC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCCSC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O6S/c1-12-10-18(24)28-17-11-15(6-7-16(12)17)27-8-9-30-20-22-21-19(29-20)13-2-4-14(5-3-13)23(25)26/h2-7,10-11H,8-9H2,1H3