3-butyl-2-methylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

Systemtic Name: 3-butyl-2-methylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-butyl-2-methylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-butyl-2-(methylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-butyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-butyl-2-(methylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SC

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SC

InChI

InChI=1S/C21H26N2OS/c1-3-4-13-23-19(24)17-18(22-20(23)25-2)16-10-6-5-9-15(16)14-21(17)11-7-8-12-21/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3