1-(3-bromanyl-4-methoxy-phenyl)-2-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Openeye Name: 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(3-bromo-4-methoxy-phenyl)ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(3-bromo-4-methoxyphenyl)ethanone Traditional Name: 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)thio]-1-(3-bromo-4-methoxy-phenyl)ethanone Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(O2)CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(O2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C18H15BrN2O3S/c1-23-16-8-7-13(10-14(16)19)15(22)11-25-18-21-20-17(24-18)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3