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

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

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCC(C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCC(C)C

InChI

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