2-[[(3R)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]quinazolin-4-olate

Systemtic Name: 2-[[(3R)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]quinazolin-4-olate Openeye Name: 2-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]quinazolin-4-olate CAS Name: 2-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]thio]-4-quinazolinolate IUPAC Name: 2-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]quinazolin-4-olate Traditional Name: 2-[[(3R)-2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl]thio]quinazolin-4-olate Formula: C18H14N3O2S- MolecularWeight: 336.38766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SC3=NC4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)[C@@H]1SC3=NC4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C18H15N3O2S/c22-16-12-6-2-4-8-14(12)20-18(21-16)24-15-10-9-11-5-1-3-7-13(11)19-17(15)23/h1-8,15H,9-10H2,(H,19,23)(H,20,21,22)/p-1/t15-/m1/s1