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

Systemtic Name: 5-[(4-methylphenyl)sulfanylmethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 3-(4-nitrophenyl)-5-(p-tolylsulfanylmethyl)-1,2,4-oxadiazole CAS Name: 5-[[(4-methylphenyl)thio]methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(4-methylphenyl)sulfanylmethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 3-(4-nitrophenyl)-5-[(p-tolylthio)methyl]-1,2,4-oxadiazole Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S/c1-11-2-8-14(9-3-11)23-10-15-17-16(18-22-15)12-4-6-13(7-5-12)19(20)21/h2-9H,10H2,1H3