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

Systemtic Name: 6-chloranyl-4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-7-methyl-coumarin Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NN=C(O2)SCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C)C

InChI

InChI=1S/C21H17ClN2O3S/c1-11-4-12(2)6-14(5-11)20-23-24-21(27-20)28-10-15-8-19(25)26-18-7-13(3)17(22)9-16(15)18/h4-9H,10H2,1-3H3