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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-3-(3-methoxyphenyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C30H27ClN2O2S MolecularWeight: 515.06558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC6=CC=C(C=C6)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC6=CC=C(C=C6)Cl

InChI

InChI=1S/C30H27ClN2O2S/c1-35-24-9-6-8-23(17-24)33-28(34)26-27(32-29(33)36-19-20-11-13-22(31)14-12-20)25-10-3-2-7-21(25)18-30(26)15-4-5-16-30/h2-3,6-14,17H,4-5,15-16,18-19H2,1H3