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

Systemtic Name: 2-butylsulfanyl-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-butylsulfanyl-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(butylthio)-3-phenyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-butylsulfanyl-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(butylthio)-3-phenyl-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:

CCCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

InChI

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