2-phenethylsulfanylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-phenethylsulfanylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-phenethylsulfanylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(phenethylthio)-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-phenethylsulfanylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(phenethylthio)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)SCCC5=CC=CC=C5

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)SCCC5=CC=CC=C5

InChI

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