2-(phenylmethylsulfanyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one

Systemtic Name: 2-(phenylmethylsulfanyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-benzylsulfanylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(phenylmethylthio)-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-benzylsulfanylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(benzylthio)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C23H22N2OS MolecularWeight: 374.49858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)SCC5=CC=CC=C5

Isomeric SMILES

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)SCC5=CC=CC=C5

InChI

InChI=1S/C23H22N2OS/c26-21-19-20(24-22(25-21)27-15-16-8-2-1-3-9-16)18-11-5-4-10-17(18)14-23(19)12-6-7-13-23/h1-5,8-11H,6-7,12-15H2,(H,24,25,26)