3,3-dimethyl-4-[(2R)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[(2R)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[(2R)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[(2R)-1-oxo-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[(2R)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[(2R)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propanoyl]-1H-quinoxalin-2-one Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C[C@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C20H20N6O2S/c1-12(29-19-23-16(24-25-19)13-8-10-21-11-9-13)17(27)26-15-7-5-4-6-14(15)22-18(28)20(26,2)3/h4-12H,1-3H3,(H,22,28)(H,23,24,25)/t12-/m1/s1