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

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-methyl-3-nitro-benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-methyl-3-nitro-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-methyl-3-nitrobenzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-methyl-3-nitrobenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-methyl-3-nitro-benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CN(C1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S/c1-23(17(25)15-3-2-4-16(8-15)24(26)27)19-22-21-18(28-19)20-9-12-5-13(10-20)7-14(6-12)11-20/h2-4,8,12-14H,5-7,9-11H2,1H3