3,3-dimethyl-4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-[[4-(1-pyrazolyl)phenyl]methylthio]ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-[(4-pyrazol-1-ylbenzyl)thio]acetyl]-1H-quinoxalin-2-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSCC3=CC=C(C=C3)N4C=CC=N4)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSCC3=CC=C(C=C3)N4C=CC=N4)C

InChI

InChI=1S/C22H22N4O2S/c1-22(2)21(28)24-18-6-3-4-7-19(18)26(22)20(27)15-29-14-16-8-10-17(11-9-16)25-13-5-12-23-25/h3-13H,14-15H2,1-2H3,(H,24,28)