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

Systemtic Name: 5-tert-butyl-3-(6-chloranyl-2-prop-2-enylsulfanyl-1,3-benzothiazol-5-yl)-1,3,4-oxadiazol-2-one Openeye Name: 3-(2-allylsulfanyl-6-chloro-1,3-benzothiazol-5-yl)-5-tert-butyl-1,3,4-oxadiazol-2-one CAS Name: 5-tert-butyl-3-[6-chloro-2-(prop-2-enylthio)-1,3-benzothiazol-5-yl]-1,3,4-oxadiazol-2-one IUPAC Name: 5-tert-butyl-3-(6-chloro-2-prop-2-enylsulfanyl-1,3-benzothiazol-5-yl)-1,3,4-oxadiazol-2-one Traditional Name: 3-[2-(allylthio)-6-chloro-1,3-benzothiazol-5-yl]-5-tert-butyl-1,3,4-oxadiazol-2-one Formula: C16H16ClN3O2S2 MolecularWeight: 381.90014

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O2S2/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/h5,7-8H,1,6H2,2-4H3