2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Openeye Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole CAS Name: 2-[[(2,5-dimethylphenyl)thio]methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-[[(2,5-dimethylphenyl)thio]methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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