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

Systemtic Name: 3,5-dinitro-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide Openeye Name: N-[5-[(4-isopropylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[5-[[4-(propan-2-ylthio)phenyl]methyl]-1,3,4-oxadiazol-2-yl]benzamide IUPAC Name: 3,5-dinitro-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide Traditional Name: N-[5-[4-(isopropylthio)benzyl]-1,3,4-oxadiazol-2-yl]-3,5-dinitro-benzamide Formula: C19H17N5O6S MolecularWeight: 443.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC2=NN=C(O2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O6S/c1-11(2)31-16-5-3-12(4-6-16)7-17-21-22-19(30-17)20-18(25)13-8-14(23(26)27)10-15(9-13)24(28)29/h3-6,8-11H,7H2,1-2H3,(H,20,22,25)