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

Systemtic Name: 3-(2-methylpropyl)-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-isobutyl-2-pentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(2-methylpropyl)-2-(pentylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(2-methylpropyl)-2-pentylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(amylthio)-3-isobutyl-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)N1CC(C)C)C3(CCCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCCCCSC1=NC2=C(C(=O)N1CC(C)C)C3(CCCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C26H36N2OS/c1-4-5-11-16-30-25-27-23-21-13-8-7-12-20(21)17-26(14-9-6-10-15-26)22(23)24(29)28(25)18-19(2)3/h7-8,12-13,19H,4-6,9-11,14-18H2,1-3H3