4-nitro-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

Systemtic Name: 4-nitro-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide Openeye Name: N-[5-(3-isopropylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-4-nitro-benzamide CAS Name: 4-nitro-N-[5-[3-(propan-2-ylthio)phenyl]-1,3,4-oxadiazol-2-yl]benzamide IUPAC Name: 4-nitro-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide Traditional Name: N-[5-[3-(isopropylthio)phenyl]-1,3,4-oxadiazol-2-yl]-4-nitro-benzamide Formula: C18H16N4O4S MolecularWeight: 384.40904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC(=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)SC1=CC=CC(=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c1-11(2)27-15-5-3-4-13(10-15)17-20-21-18(26-17)19-16(23)12-6-8-14(9-7-12)22(24)25/h3-11H,1-2H3,(H,19,21,23)