4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methoxy-coumarin Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=CC(=O)OC4=C3C=CC(=C4)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=CC(=O)OC4=C3C=CC(=C4)OC)C

InChI

InChI=1S/C21H18N2O4S/c1-12-6-13(2)8-14(7-12)20-22-23-21(27-20)28-11-15-9-19(24)26-18-10-16(25-3)4-5-17(15)18/h4-10H,11H2,1-3H3