4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]quinazoline

Systemtic Name: 4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]quinazoline Openeye Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]quinazoline CAS Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]quinazoline IUPAC Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]quinazoline Traditional Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]quinazoline Formula: C18H15ClN2O2S MolecularWeight: 358.8419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=NC=NC4=CC=CC=C43)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NC=NC4=CC=CC=C43)Cl)OC1

InChI

InChI=1S/C18H15ClN2O2S/c19-14-8-12(9-16-17(14)23-7-3-6-22-16)10-24-18-13-4-1-2-5-15(13)20-11-21-18/h1-2,4-5,8-9,11H,3,6-7,10H2