5-(4-bromophenyl)-3-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,2,4-oxadiazole

Systemtic Name: 5-(4-bromophenyl)-3-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,2,4-oxadiazole Openeye Name: 5-(4-bromophenyl)-3-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,2,4-oxadiazole CAS Name: 5-(4-bromophenyl)-3-[(3,4-dimethoxyphenyl)methylthio]-1,2,4-oxadiazole IUPAC Name: 5-(4-bromophenyl)-3-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,2,4-oxadiazole Traditional Name: 5-(4-bromophenyl)-3-(veratrylthio)-1,2,4-oxadiazole Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NOC(=N2)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NOC(=N2)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C17H15BrN2O3S/c1-21-14-8-3-11(9-15(14)22-2)10-24-17-19-16(23-20-17)12-4-6-13(18)7-5-12/h3-9H,10H2,1-2H3