2-(4,5-dihydro-1H-1,3-benzodiazepin-2-ylsulfanyl)-1-(furan-2-yl)ethanone

Systemtic Name: 2-(4,5-dihydro-1H-1,3-benzodiazepin-2-ylsulfanyl)-1-(furan-2-yl)ethanone Openeye Name: 2-(4,5-dihydro-1H-1,3-benzodiazepin-2-ylsulfanyl)-1-(2-furyl)ethanone CAS Name: 2-(4,5-dihydro-1H-1,3-benzodiazepin-2-ylthio)-1-(2-furanyl)ethanone IUPAC Name: 2-(4,5-dihydro-1H-1,3-benzodiazepin-2-ylsulfanyl)-1-(furan-2-yl)ethanone Traditional Name: 2-(4,5-dihydro-1H-1,3-benzodiazepin-2-ylthio)-1-(2-furyl)ethanone Formula: C15H14N2O2S MolecularWeight: 286.34886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(NC2=CC=CC=C21)SCC(=O)C3=CC=CO3

Isomeric SMILES

C1CN=C(NC2=CC=CC=C21)SCC(=O)C3=CC=CO3

InChI

InChI=1S/C15H14N2O2S/c18-13(14-6-3-9-19-14)10-20-15-16-8-7-11-4-1-2-5-12(11)17-15/h1-6,9H,7-8,10H2,(H,16,17)