2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 1-morpholino-2-[3-nitro-5-(p-tolylsulfanyl)-1,2,4-triazol-1-yl]ethanone CAS Name: 2-[5-[(4-methylphenyl)thio]-3-nitro-1,2,4-triazol-1-yl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]-1-morpholin-4-ylethanone Traditional Name: 1-morpholino-2-[3-nitro-5-(p-tolylthio)-1,2,4-triazol-1-yl]ethanone Formula: C15H17N5O4S MolecularWeight: 363.39158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC(=NN2CC(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC(=NN2CC(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4S/c1-11-2-4-12(5-3-11)25-15-16-14(20(22)23)17-19(15)10-13(21)18-6-8-24-9-7-18/h2-5H,6-10H2,1H3