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

Systemtic Name: 2-butylsulfanyl-3-cyclopentyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-butylsulfanyl-3-cyclopentyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(butylthio)-3-cyclopentyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-butylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(butylthio)-3-cyclopentyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C26H34N2OS MolecularWeight: 422.62596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1C3CCCC3)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1C3CCCC3)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C26H34N2OS/c1-2-3-17-30-25-27-23-21-14-8-5-11-19(21)18-26(15-9-4-10-16-26)22(23)24(29)28(25)20-12-6-7-13-20/h5,8,11,14,20H,2-4,6-7,9-10,12-13,15-18H2,1H3