1-(3-methoxyphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone

Systemtic Name: 1-(3-methoxyphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone Openeye Name: 1-(3-methoxyphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone CAS Name: 1-(3-methoxyphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)ethanone IUPAC Name: 1-(3-methoxyphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone Traditional Name: 1-(3-methoxyphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)ethanone Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

InChI

InChI=1S/C21H17N3O2S/c1-26-15-7-4-6-14(12-15)19(25)13-27-21-16-8-2-3-9-17(16)23-20-18(24-21)10-5-11-22-20/h2-12H,13H2,1H3,(H,22,23)