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

Systemtic Name: 1-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-naphthalen-2-ylsulfanyl-ethanone Openeye Name: 1-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(2-naphthylsulfanyl)ethanone CAS Name: 1-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(2-naphthalenylthio)ethanone IUPAC Name: 1-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-naphthalen-2-ylsulfanylethanone Traditional Name: 1-[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(2-naphthylthio)ethanone Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2CN1C(=O)CSC3=CC4=CC=CC=C4C=C3)CC5=CN=CN5

Isomeric SMILES

C1CN(C2=CC=CC=C2CN1C(=O)CSC3=CC4=CC=CC=C4C=C3)CC5=CN=CN5

InChI

InChI=1S/C25H24N4OS/c30-25(17-31-23-10-9-19-5-1-2-6-20(19)13-23)29-12-11-28(16-22-14-26-18-27-22)24-8-4-3-7-21(24)15-29/h1-10,13-14,18H,11-12,15-17H2,(H,26,27)