2-[5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[5-[(2-isopropyl-5-methyl-phenoxy)methyl]-2-thioxo-1,3,4-oxadiazol-3-yl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[5-[(2-isopropyl-5-methyl-phenoxy)methyl]-2-thioxo-1,3,4-oxadiazol-3-yl]-1-(3-nitrophenyl)ethanone Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NN(C(=S)O2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NN(C(=S)O2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S/c1-13(2)17-8-7-14(3)9-19(17)28-12-20-22-23(21(30)29-20)11-18(25)15-5-4-6-16(10-15)24(26)27/h4-10,13H,11-12H2,1-3H3