2-methylsulfanyl-3-(phenylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-methylsulfanyl-3-(phenylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-benzyl-2-methylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(methylthio)-3-(phenylmethyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-benzyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-benzyl-2-(methylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C25H26N2OS MolecularWeight: 402.55174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C25H26N2OS/c1-29-24-26-22-20-13-7-6-12-19(20)16-25(14-8-3-9-15-25)21(22)23(28)27(24)17-18-10-4-2-5-11-18/h2,4-7,10-13H,3,8-9,14-17H2,1H3