3,3-dimethyl-4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]-1H-quinoxalin-2-one Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=NN3)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC=NN3)C

InChI

InChI=1S/C14H15N5O2S/c1-14(2)12(21)17-9-5-3-4-6-10(9)19(14)11(20)7-22-13-15-8-16-18-13/h3-6,8H,7H2,1-2H3,(H,17,21)(H,15,16,18)