2-(butylsulfanylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one

Systemtic Name: 2-(butylsulfanylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-(butylsulfanylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-[(butylthio)methyl]-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-(butylsulfanylmethyl)spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-[(butylthio)methyl]spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC24CCCC4

Isomeric SMILES

CCCCSCC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC24CCCC4

InChI

InChI=1S/C21H26N2OS/c1-2-3-12-25-14-17-22-19-16-9-5-4-8-15(16)13-21(10-6-7-11-21)18(19)20(24)23-17/h4-5,8-9H,2-3,6-7,10-14H2,1H3,(H,22,23,24)