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

Systemtic Name: 2-[(phenylmethylsulfanyl)methyl]spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-(benzylsulfanylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-[(phenylmethylthio)methyl]-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-(benzylsulfanylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-[(benzylthio)methyl]spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C25H26N2OS MolecularWeight: 402.55174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)CSCC5=CC=CC=C5

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)CSCC5=CC=CC=C5

InChI

InChI=1S/C25H26N2OS/c28-24-22-23(26-21(27-24)17-29-16-18-9-3-1-4-10-18)20-12-6-5-11-19(20)15-25(22)13-7-2-8-14-25/h1,3-6,9-12H,2,7-8,13-17H2,(H,26,27,28)