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

Systemtic Name: 3,3-dimethyl-4-[(2R)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[(2R)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[(2R)-1-oxo-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]propyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[(2R)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one Traditional Name: 4-[(2R)-2-[(4-amyl-1,2,4-triazol-3-yl)thio]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SC(C)C(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

Isomeric SMILES

CCCCCN1C=NN=C1S[C@H](C)C(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

InChI

InChI=1S/C20H27N5O2S/c1-5-6-9-12-24-13-21-23-19(24)28-14(2)17(26)25-16-11-8-7-10-15(16)22-18(27)20(25,3)4/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3,(H,22,27)/t14-/m1/s1