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

Systemtic Name: 3,3-dimethyl-4-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-(1-phenyltetrazol-5-yl)sulfanylpropanoyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]propyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-(1-phenyltetrazol-5-yl)sulfanylpropanoyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-[(1-phenyltetrazol-5-yl)thio]propanoyl]-1H-quinoxalin-2-one Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H20N6O2S/c1-13(29-19-22-23-24-26(19)14-9-5-4-6-10-14)17(27)25-16-12-8-7-11-15(16)21-18(28)20(25,2)3/h4-13H,1-3H3,(H,21,28)