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

Systemtic Name: 3,5-dinitro-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]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[5-[4-(propan-2-ylthio)phenyl]-1,3,4-oxadiazol-2-yl]benzamide IUPAC Name: 3,5-dinitro-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]-3,5-dinitro-benzamide Formula: C18H15N5O6S MolecularWeight: 429.4066

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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-])[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-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O6S/c1-10(2)30-15-5-3-11(4-6-15)17-20-21-18(29-17)19-16(24)12-7-13(22(25)26)9-14(8-12)23(27)28/h3-10H,1-2H3,(H,19,21,24)