1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-pyridin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(4-pyridylthio)ethanone Formula: C26H25N5OS MolecularWeight: 455.5746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)CSC3=CC=NC=C3)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1CN(C2=C(CN1C(=O)CSC3=CC=NC=C3)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C26H25N5OS/c32-26(18-33-24-8-10-27-11-9-24)31-13-12-30(17-23-15-28-19-29-23)25-7-6-21(14-22(25)16-31)20-4-2-1-3-5-20/h1-11,14-15,19H,12-13,16-18H2,(H,28,29)