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

Systemtic Name: 2-(phenylmethylsulfanyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-benzylsulfanylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(phenylmethylthio)-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-benzylsulfanylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(benzylthio)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C24H24N2OS MolecularWeight: 388.52516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)SCC5=CC=CC=C5

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)SCC5=CC=CC=C5

InChI

InChI=1S/C24H24N2OS/c27-22-20-21(25-23(26-22)28-16-17-9-3-1-4-10-17)19-12-6-5-11-18(19)15-24(20)13-7-2-8-14-24/h1,3-6,9-12H,2,7-8,13-16H2,(H,25,26,27)