3-(4-bromophenyl)carbonyl-4-[(Z)-1-nonylsulfanylprop-1-en-2-yl]-1,2,4-oxadiazol-5-one

Systemtic Name: 3-(4-bromophenyl)carbonyl-4-[(Z)-1-nonylsulfanylprop-1-en-2-yl]-1,2,4-oxadiazol-5-one Openeye Name: 3-(4-bromobenzoyl)-4-[(Z)-1-methyl-2-nonylsulfanyl-vinyl]-1,2,4-oxadiazol-5-one CAS Name: 3-[(4-bromophenyl)-oxomethyl]-4-[(Z)-1-(nonylthio)prop-1-en-2-yl]-1,2,4-oxadiazol-5-one IUPAC Name: 3-(4-bromobenzoyl)-4-[(Z)-1-nonylsulfanylprop-1-en-2-yl]-1,2,4-oxadiazol-5-one Traditional Name: 3-(4-bromobenzoyl)-4-[(Z)-1-methyl-2-(nonylthio)vinyl]-1,2,4-oxadiazol-5-one Formula: C21H27BrN2O3S MolecularWeight: 467.41968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC=C(C)N1C(=NOC1=O)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCCCCS/C=C(/C)\N1C(=NOC1=O)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H27BrN2O3S/c1-3-4-5-6-7-8-9-14-28-15-16(2)24-20(23-27-21(24)26)19(25)17-10-12-18(22)13-11-17/h10-13,15H,3-9,14H2,1-2H3/b16-15-