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

Systemtic Name: 4-[(2R)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2R)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2R)-1-oxo-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]propyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2R)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2R)-2-[(4-amyl-1,2,4-triazol-3-yl)thio]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SC(C)C(=O)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CCCCCN1C=NN=C1S[C@H](C)C(=O)N2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C18H23N5O2S/c1-3-4-7-10-22-12-19-21-18(22)26-13(2)17(25)23-11-16(24)20-14-8-5-6-9-15(14)23/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,20,24)/t13-/m1/s1