2-(2-methylpropylsulfanyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(2-methylpropylsulfanyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole Openeye Name: 2-isobutylsulfanyl-5-(3-nitrophenyl)-1,3,4-oxadiazole CAS Name: 2-(2-methylpropylthio)-5-(3-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-(2-methylpropylsulfanyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-(isobutylthio)-5-(3-nitrophenyl)-1,3,4-oxadiazole Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(O1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CSC1=NN=C(O1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3S/c1-8(2)7-19-12-14-13-11(18-12)9-4-3-5-10(6-9)15(16)17/h3-6,8H,7H2,1-2H3