2-[2-(2-methoxy-4-methyl-phenoxy)ethylsulfanyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[2-(2-methoxy-4-methyl-phenoxy)ethylsulfanyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Openeye Name: 2-[2-(2-methoxy-4-methyl-phenoxy)ethylsulfanyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole CAS Name: 2-[2-(2-methoxy-4-methylphenoxy)ethylthio]-5-(4-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-[2-(2-methoxy-4-methylphenoxy)ethylsulfanyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-[2-(2-methoxy-4-methyl-phenoxy)ethylthio]-5-(4-nitrophenyl)-1,3,4-oxadiazole Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCCSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N3O5S/c1-12-3-8-15(16(11-12)24-2)25-9-10-27-18-20-19-17(26-18)13-4-6-14(7-5-13)21(22)23/h3-8,11H,9-10H2,1-2H3