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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

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