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

Systemtic Name: 3-(3-methoxyphenyl)-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-(3-methoxyphenyl)-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(3-methoxyphenyl)-2-(pentylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(3-methoxyphenyl)-2-pentylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(amylthio)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C29H34N2O2S MolecularWeight: 474.65746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)OC)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)OC)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C29H34N2O2S/c1-3-4-10-18-34-28-30-26-24-15-7-6-12-21(24)20-29(16-8-5-9-17-29)25(26)27(32)31(28)22-13-11-14-23(19-22)33-2/h6-7,11-15,19H,3-5,8-10,16-18,20H2,1-2H3