3,3-dimethyl-4-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]ethanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]ethanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-[(1-phenyl-5-tetrazolyl)methylthio]ethyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-[(1-phenyltetrazol-5-yl)methylthio]acetyl]-1H-quinoxalin-2-one Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSCC3=NN=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSCC3=NN=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C20H20N6O2S/c1-20(2)19(28)21-15-10-6-7-11-16(15)25(20)18(27)13-29-12-17-22-23-24-26(17)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,21,28)