[4-[3-(4-isothiocyanatophenyl)-1,2,4-oxadiazol-5-yl]phenyl] ethanoate

Systemtic Name: [4-[3-(4-isothiocyanatophenyl)-1,2,4-oxadiazol-5-yl]phenyl] ethanoate Openeye Name: [4-[3-(4-isothiocyanatophenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate CAS Name: acetic acid [4-[3-(4-isothiocyanatophenyl)-1,2,4-oxadiazol-5-yl]phenyl] ester IUPAC Name: [4-[3-(4-isothiocyanatophenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate Traditional Name: acetic acid [4-[3-(4-isothiocyanatophenyl)-1,2,4-oxadiazol-5-yl]phenyl] ester Formula: C17H11N3O3S MolecularWeight: 337.35254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)N=C=S

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C17H11N3O3S/c1-11(21)22-15-8-4-13(5-9-15)17-19-16(20-23-17)12-2-6-14(7-3-12)18-10-24/h2-9H,1H3