2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-1-morpholin-4-yl-propan-1-one

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-1-morpholin-4-yl-propan-1-one Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-1-morpholino-propan-1-one CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-1-morpholin-4-ylpropan-1-one Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-morpholino-propan-1-one Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)N1CCOCC1)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C17H23N5O2S/c1-13(15(23)21-8-10-24-11-9-21)22-16(18)19-20-17(22)25-12-7-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H2,18,19)