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

Systemtic Name: 4-[(2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[(2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[(2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[(2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[(2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O2S/c1-11(27-17-21-15(22-23-17)18(2,3)4)14(25)24-13-10-8-7-9-12(13)20-16(26)19(24,5)6/h7-11H,1-6H3,(H,20,26)(H,21,22,23)/t11-/m0/s1