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

Systemtic Name: 4-methyl-7-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]chromen-2-one Openeye Name: 4-methyl-7-[2-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]chromen-2-one CAS Name: 4-methyl-7-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]chromen-2-one Traditional Name: 4-methyl-7-[2-[[5-(m-tolyl)-1,3,4-oxadiazol-2-yl]thio]ethoxy]coumarin Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(O2)SCCOC3=CC4=C(C=C3)C(=CC(=O)O4)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(O2)SCCOC3=CC4=C(C=C3)C(=CC(=O)O4)C

InChI

InChI=1S/C21H18N2O4S/c1-13-4-3-5-15(10-13)20-22-23-21(27-20)28-9-8-25-16-6-7-17-14(2)11-19(24)26-18(17)12-16/h3-7,10-12H,8-9H2,1-2H3