4-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[1-oxo-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)SC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)SC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3S/c1-14(19(28)26-13-18(27)22-16-9-5-6-10-17(16)26)30-21-24-23-20(29)25(21)12-11-15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,22,27)(H,23,29)