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

Systemtic Name: 3,3-dimethyl-4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-1H-quinoxalin-2-one Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

InChI

InChI=1S/C17H21N5O2S/c1-4-7-13-19-16(21-20-13)25-10-14(23)22-12-9-6-5-8-11(12)18-15(24)17(22,2)3/h5-6,8-9H,4,7,10H2,1-3H3,(H,18,24)(H,19,20,21)