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

Systemtic Name: 3-(2-methylphenyl)-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-isopropylsulfanyl-3-(o-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(2-methylphenyl)-2-(propan-2-ylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(2-methylphenyl)-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(isopropylthio)-3-(o-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SC(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SC(C)C

InChI

InChI=1S/C26H28N2OS/c1-17(2)30-25-27-23-20-12-6-5-11-19(20)16-26(14-8-9-15-26)22(23)24(29)28(25)21-13-7-4-10-18(21)3/h4-7,10-13,17H,8-9,14-16H2,1-3H3