[4-(5-sulfanylidene-1,2-dithiol-3-yl)phenyl] 2-[(5-bromanylquinoxalin-6-yl)amino]-4,5-dihydroimidazole-1-carboxylate

Systemtic Name: [4-(5-sulfanylidene-1,2-dithiol-3-yl)phenyl] 2-[(5-bromanylquinoxalin-6-yl)amino]-4,5-dihydroimidazole-1-carboxylate Openeye Name: [4-(5-thioxodithiol-3-yl)phenyl] 2-[(5-bromoquinoxalin-6-yl)amino]-4,5-dihydroimidazole-1-carboxylate CAS Name: 2-[(5-bromo-6-quinoxalinyl)amino]-4,5-dihydroimidazole-1-carboxylic acid [4-(5-sulfanylidene-3-dithiolyl)phenyl] ester IUPAC Name: [4-(5-sulfanylidenedithiol-3-yl)phenyl] 2-[(5-bromoquinoxalin-6-yl)amino]-4,5-dihydroimidazole-1-carboxylate Traditional Name: 2-[(5-bromoquinoxalin-6-yl)amino]-2-imidazoline-1-carboxylic acid [4-(5-thioxodithiol-3-yl)phenyl] ester Formula: C21H14BrN5O2S3 MolecularWeight: 544.46716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=N1)NC2=C(C3=NC=CN=C3C=C2)Br)C(=O)OC4=CC=C(C=C4)C5=CC(=S)SS5

Isomeric SMILES

C1CN(C(=N1)NC2=C(C3=NC=CN=C3C=C2)Br)C(=O)OC4=CC=C(C=C4)C5=CC(=S)SS5

InChI

InChI=1S/C21H14BrN5O2S3/c22-18-14(5-6-15-19(18)24-8-7-23-15)26-20-25-9-10-27(20)21(28)29-13-3-1-12(2-4-13)16-11-17(30)32-31-16/h1-8,11H,9-10H2,(H,25,26)