3,3-dimethyl-4-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-quinoxalin-2-one Traditional Name: 4-[2-[(4-amyl-1,2,4-triazol-3-yl)thio]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

InChI

InChI=1S/C19H25N5O2S/c1-4-5-8-11-23-13-20-22-18(23)27-12-16(25)24-15-10-7-6-9-14(15)21-17(26)19(24,2)3/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H,21,26)