2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-morpholin-4-yl-propan-1-one

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-1-morpholino-propan-1-one CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-1-morpholin-4-ylpropan-1-one Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-1-morpholino-propan-1-one Formula: C16H21N5O2S MolecularWeight: 347.43524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)N1CCOCC1)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C16H21N5O2S/c1-12(14(22)20-7-9-23-10-8-20)21-15(17)18-19-16(21)24-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H2,17,18)