4-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-(1-amino-4-phenyl-imidazol-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-[(1-amino-4-phenyl-imidazol-2-yl)thio]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC(=CN3N)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC(=CN3N)C4=CC=CC=C4)C

InChI

InChI=1S/C21H21N5O2S/c1-21(2)19(28)23-15-10-6-7-11-17(15)26(21)18(27)13-29-20-24-16(12-25(20)22)14-8-4-3-5-9-14/h3-12H,13,22H2,1-2H3,(H,23,28)