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

Systemtic Name: 2-[3-azanyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: 2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-morpholino-propan-1-one CAS Name: 2-[3-amino-5-[(2-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: 2-[3-amino-5-[(2-chlorobenzyl)thio]-1,2,4-triazol-4-yl]-1-morpholino-propan-1-one Formula: C16H20ClN5O2S MolecularWeight: 381.8803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)N2C(=NN=C2SCC3=CC=CC=C3Cl)N

Isomeric SMILES

CC(C(=O)N1CCOCC1)N2C(=NN=C2SCC3=CC=CC=C3Cl)N

InChI

InChI=1S/C16H20ClN5O2S/c1-11(14(23)21-6-8-24-9-7-21)22-15(18)19-20-16(22)25-10-12-4-2-3-5-13(12)17/h2-5,11H,6-10H2,1H3,(H2,18,19)