3-(4-nitrophenyl)-5-[2-(phenylmethylsulfanyl)ethyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-nitrophenyl)-5-[2-(phenylmethylsulfanyl)ethyl]-1,2,4-oxadiazole Openeye Name: 5-(2-benzylsulfanylethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole CAS Name: 3-(4-nitrophenyl)-5-[2-(phenylmethylthio)ethyl]-1,2,4-oxadiazole IUPAC Name: 5-(2-benzylsulfanylethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 5-[2-(benzylthio)ethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCCC2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O3S/c21-20(22)15-8-6-14(7-9-15)17-18-16(23-19-17)10-11-24-12-13-4-2-1-3-5-13/h1-9H,10-12H2