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

Systemtic Name: 3,3-dimethyl-4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]-1H-quinoxalin-2-one Formula: C18H17N5O2S2 MolecularWeight: 399.48988

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NNC(=N3)C4=CC=CS4)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NNC(=N3)C4=CC=CS4)C

InChI

InChI=1S/C18H17N5O2S2/c1-18(2)16(25)19-11-6-3-4-7-12(11)23(18)14(24)10-27-17-20-15(21-22-17)13-8-5-9-26-13/h3-9H,10H2,1-2H3,(H,19,25)(H,20,21,22)