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

Systemtic Name: 3,3-dimethyl-4-[(2R)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[(2R)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[(2R)-1-oxo-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[(2R)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[(2R)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propanoyl]-1H-quinoxalin-2-one Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SC3=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SC3=NN(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-14(29-20-22-13-25(24-20)15-9-5-4-6-10-15)18(27)26-17-12-8-7-11-16(17)23-19(28)21(26,2)3/h4-14H,1-3H3,(H,23,28)/t14-/m1/s1