1-(6-bromanyl-2-thiophen-2-yl-quinazolin-4-yl)-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,3,4-benzotriazepin-5-one

Systemtic Name: 1-(6-bromanyl-2-thiophen-2-yl-quinazolin-4-yl)-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,3,4-benzotriazepin-5-one Openeye Name: 1-[6-bromo-2-(2-thienyl)quinazolin-4-yl]-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,3,4-benzotriazepin-5-one CAS Name: 1-(6-bromo-2-thiophen-2-yl-4-quinazolinyl)-2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3,4-dihydro-1,3,4-benzotriazepin-5-one IUPAC Name: 1-(6-bromo-2-thiophen-2-ylquinazolin-4-yl)-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,3,4-benzotriazepin-5-one Traditional Name: 1-[6-bromo-2-(2-thienyl)quinazolin-4-yl]-2-(4-ketocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,3,4-benzotriazepin-5-one Formula: C26H16BrN5O2S MolecularWeight: 542.40654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NNC(=C3C=CC(=O)C=C3)N2C4=NC(=NC5=C4C=C(C=C5)Br)C6=CC=CS6

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NNC(=C3C=CC(=O)C=C3)N2C4=NC(=NC5=C4C=C(C=C5)Br)C6=CC=CS6

InChI

InChI=1S/C26H16BrN5O2S/c27-16-9-12-20-19(14-16)25(29-23(28-20)22-6-3-13-35-22)32-21-5-2-1-4-18(21)26(34)31-30-24(32)15-7-10-17(33)11-8-15/h1-14,30H,(H,31,34)