(2R)-2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-yl-2-phenyl-ethanone

Systemtic Name: (2R)-2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-yl-2-phenyl-ethanone Openeye Name: (2R)-2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-2-phenyl-ethanone CAS Name: (2R)-2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)-2-phenylethanone IUPAC Name: (2R)-2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-yl-2-phenylethanone Traditional Name: (2R)-2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-morpholino-2-phenyl-ethanone Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C4=CN=CC=C4

Isomeric SMILES

C1COCCN1C(=O)[C@@H](C2=CC=CC=C2)SC3=NN=C(N3N)C4=CN=CC=C4

InChI

InChI=1S/C19H20N6O2S/c20-25-17(15-7-4-8-21-13-15)22-23-19(25)28-16(14-5-2-1-3-6-14)18(26)24-9-11-27-12-10-24/h1-8,13,16H,9-12,20H2/t16-/m1/s1