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

Systemtic Name: 3,3-dimethyl-4-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1H-quinoxalin-2-one Openeye Name: 4-[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1H-quinoxalin-2-one Traditional Name: 4-[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C23H23N5O2S MolecularWeight: 433.52602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3CC=C)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3CC=C)C4=CC=CC=C4)C

InChI

InChI=1S/C23H23N5O2S/c1-4-14-27-20(16-10-6-5-7-11-16)25-26-22(27)31-15-19(29)28-18-13-9-8-12-17(18)24-21(30)23(28,2)3/h4-13H,1,14-15H2,2-3H3,(H,24,30)