1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]propan-1-one CAS Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]-1-propanone IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]propan-1-one Formula: C24H23N5OS MolecularWeight: 429.53732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NN=C(N12)SC(C)C(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53)C

Isomeric SMILES

CC1=CC(=NC2=NN=C(N12)SC(C)C(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53)C

InChI

InChI=1S/C24H23N5OS/c1-15-14-16(2)28-23(25-15)26-27-24(28)31-17(3)22(30)29-20-10-6-4-8-18(20)12-13-19-9-5-7-11-21(19)29/h4-11,14,17H,12-13H2,1-3H3