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

Systemtic Name: 3-methyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-isopentylsulfanyl-3-methyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-methyl-2-(3-methylbutylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-methyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(isoamylthio)-3-methyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C23H30N2OS MolecularWeight: 382.5621

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(C(=O)N1C)C3(CCCCC3)CC4=CC=CC=C42

Isomeric SMILES

CC(C)CCSC1=NC2=C(C(=O)N1C)C3(CCCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C23H30N2OS/c1-16(2)11-14-27-22-24-20-18-10-6-5-9-17(18)15-23(12-7-4-8-13-23)19(20)21(26)25(22)3/h5-6,9-10,16H,4,7-8,11-15H2,1-3H3