(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate Openeye Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-nitro-4-(p-tolylsulfanyl)benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-(4-methylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(p-tolylthio)benzoic acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-11-3-6-14(7-4-11)27-16-8-5-13(9-15(16)21(23)24)18(22)25-10-17-19-12(2)20-26-17/h3-9H,10H2,1-2H3