2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-(p-tolyl)-1,3,4-oxadiazole CAS Name: 2-[(2-methyl-3-nitrophenyl)methylthio]-5-(4-methylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(2-methyl-3-nitrophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2-methyl-3-nitro-benzyl)thio]-5-(p-tolyl)-1,3,4-oxadiazole Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)SCC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)SCC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H15N3O3S/c1-11-6-8-13(9-7-11)16-18-19-17(23-16)24-10-14-4-3-5-15(12(14)2)20(21)22/h3-9H,10H2,1-2H3