4-[(2S)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[(2S)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2S)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2S)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2S)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2S)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)SC3=NN=C(N3C4CC4)C5=CN=CC=C5

Isomeric SMILES

C[C@@H](C(=O)N1CC(=O)NC2=CC=CC=C21)SC3=NN=C(N3C4CC4)C5=CN=CC=C5

InChI

InChI=1S/C21H20N6O2S/c1-13(20(29)26-12-18(28)23-16-6-2-3-7-17(16)26)30-21-25-24-19(27(21)15-8-9-15)14-5-4-10-22-11-14/h2-7,10-11,13,15H,8-9,12H2,1H3,(H,23,28)/t13-/m0/s1