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

Systemtic Name: 2-(phenylsulfanylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-(phenylsulfanylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-[(phenylthio)methyl]-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-(phenylsulfanylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-[(phenylthio)methyl]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)CSC5=CC=CC=C5

Isomeric SMILES

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)CSC5=CC=CC=C5

InChI

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