3,3-dimethyl-4-[(2S)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[(2S)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[(2S)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[(2S)-1-oxo-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[(2S)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one Traditional Name: 4-[(2S)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O3S/c1-15(19(29)28-18-12-8-7-11-17(18)24-20(30)23(28,2)3)32-22-26-25-21(31)27(22)14-13-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,24,30)(H,25,31)/t15-/m0/s1