N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-bromanyl-3-nitro-benzamide

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-bromanyl-3-nitro-benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-bromo-3-nitro-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-bromo-3-nitrobenzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-bromo-3-nitrobenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-bromo-3-nitro-benzamide Formula: C19H19BrN4O3S MolecularWeight: 463.34816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)C5=CC(=C(C=C5)Br)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)C5=CC(=C(C=C5)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H19BrN4O3S/c20-14-2-1-13(6-15(14)24(26)27)16(25)21-18-23-22-17(28-18)19-7-10-3-11(8-19)5-12(4-10)9-19/h1-2,6,10-12H,3-5,7-9H2,(H,21,23,25)