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

Systemtic Name: 2-[1-(3,4-dimethylphenyl)sulfanylethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Openeye Name: 2-[1-(3,4-dimethylphenyl)sulfanylethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole CAS Name: 2-[1-[(3,4-dimethylphenyl)thio]ethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-[1-(3,4-dimethylphenyl)sulfanylethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-[1-[(3,4-dimethylphenyl)thio]ethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-11-4-9-16(10-12(11)2)25-13(3)17-19-20-18(24-17)14-5-7-15(8-6-14)21(22)23/h4-10,13H,1-3H3