5-[1-(4-methylphenyl)sulfanylethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[1-(4-methylphenyl)sulfanylethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 3-(4-nitrophenyl)-5-[1-(p-tolylsulfanyl)ethyl]-1,2,4-oxadiazole CAS Name: 5-[1-[(4-methylphenyl)thio]ethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[1-(4-methylphenyl)sulfanylethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 3-(4-nitrophenyl)-5-[1-(p-tolylthio)ethyl]-1,2,4-oxadiazole Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O3S/c1-11-3-9-15(10-4-11)24-12(2)17-18-16(19-23-17)13-5-7-14(8-6-13)20(21)22/h3-10,12H,1-2H3