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

Systemtic Name: 3-butyl-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-butyl-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-butyl-2-(pentylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-butyl-2-pentylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(amylthio)-3-butyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C26H36N2OS MolecularWeight: 424.64184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(C(=O)N1CCCC)C3(CCCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCCCCSC1=NC2=C(C(=O)N1CCCC)C3(CCCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C26H36N2OS/c1-3-5-12-18-30-25-27-23-21-14-9-8-13-20(21)19-26(15-10-7-11-16-26)22(23)24(29)28(25)17-6-4-2/h8-9,13-14H,3-7,10-12,15-19H2,1-2H3