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

Systemtic Name: 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone CAS Name: 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)-1-pyrrolidin-1-ylethanone Traditional Name: 2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)-1-pyrrolidino-ethanone Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

InChI

InChI=1S/C18H18N4OS/c23-16(22-10-3-4-11-22)12-24-18-13-6-1-2-7-14(13)20-17-15(21-18)8-5-9-19-17/h1-2,5-9H,3-4,10-12H2,(H,19,20)