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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-propyl-2-(p-tolylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-[(4-methylphenyl)methylthio]-3-propyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-3-propylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-[(4-methylbenzyl)thio]-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC5=CC=C(C=C5)C

Isomeric SMILES

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC5=CC=C(C=C5)C

InChI

InChI=1S/C27H30N2OS/c1-3-16-29-25(30)23-24(28-26(29)31-18-20-12-10-19(2)11-13-20)22-9-5-4-8-21(22)17-27(23)14-6-7-15-27/h4-5,8-13H,3,6-7,14-18H2,1-2H3