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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-5-(3-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-5-(3-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)CSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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