3-(6-bromanyl-2-prop-2-ynylsulfanyl-1,3-benzothiazol-5-yl)-5-tert-butyl-1,3,4-oxadiazol-2-one

Systemtic Name: 3-(6-bromanyl-2-prop-2-ynylsulfanyl-1,3-benzothiazol-5-yl)-5-tert-butyl-1,3,4-oxadiazol-2-one Openeye Name: 3-(6-bromo-2-prop-2-ynylsulfanyl-1,3-benzothiazol-5-yl)-5-tert-butyl-1,3,4-oxadiazol-2-one CAS Name: 3-[6-bromo-2-(prop-2-ynylthio)-1,3-benzothiazol-5-yl]-5-tert-butyl-1,3,4-oxadiazol-2-one IUPAC Name: 3-(6-bromo-2-prop-2-ynylsulfanyl-1,3-benzothiazol-5-yl)-5-tert-butyl-1,3,4-oxadiazol-2-one Traditional Name: 3-[6-bromo-2-(propargylthio)-1,3-benzothiazol-5-yl]-5-tert-butyl-1,3,4-oxadiazol-2-one Formula: C16H14BrN3O2S2 MolecularWeight: 424.33526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)O1)C2=C(C=C3C(=C2)N=C(S3)SCC#C)Br

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)O1)C2=C(C=C3C(=C2)N=C(S3)SCC#C)Br

InChI

InChI=1S/C16H14BrN3O2S2/c1-5-6-23-14-18-10-8-11(9(17)7-12(10)24-14)20-15(21)22-13(19-20)16(2,3)4/h1,7-8H,6H2,2-4H3