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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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