[(5R,7S)-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-thiomorpholin-4-yl-methanone

Systemtic Name: [(5R,7S)-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-thiomorpholin-4-yl-methanone Openeye Name: [(5R,7S)-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-thiomorpholino-methanone CAS Name: [(5R,7S)-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-thiomorpholin-4-ylmethanone IUPAC Name: [(5R,7S)-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-thiomorpholin-4-ylmethanone Traditional Name: [(5R,7S)-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]-thiomorpholino-methanone Formula: C17H23N5O3S MolecularWeight: 377.46122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)[N+](=O)[O-]

Isomeric SMILES

C1CSCCN1C(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)N5C=NC(=N5)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O3S/c23-14(20-1-3-26-4-2-20)16-6-12-5-13(7-16)9-17(8-12,10-16)21-11-18-15(19-21)22(24)25/h11-13H,1-10H2/t12-,13+,16?,17?