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

Systemtic Name: 2-(2-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-(o-tolyl)-1,3,4-oxadiazole CAS Name: 2-(2-methylphenyl)-5-[(4-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(2-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-[(4-nitrobenzyl)thio]-5-(o-tolyl)-1,3,4-oxadiazole Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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