[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CSC3=CC=C(C=C3)Br

InChI

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