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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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