3,5-dinitro-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3,5-dinitro-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3,5-dinitro-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3,5-dinitro-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3,5-dinitro-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3,5-dinitro-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C12H11N5O5S2 MolecularWeight: 369.37624

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCSC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O5S2/c1-2-3-23-12-15-14-11(24-12)13-10(18)7-4-8(16(19)20)6-9(5-7)17(21)22/h4-6H,2-3H2,1H3,(H,13,14,18)