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

Systemtic Name: 2-(3-methylbutylsulfanyl)-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-isopentylsulfanyl-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(3-methylbutylthio)-3-phenyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-(3-methylbutylsulfanyl)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(isoamylthio)-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C28H32N2OS MolecularWeight: 444.63148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC(C)CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C28H32N2OS/c1-20(2)15-18-32-27-29-25-23-14-8-7-11-21(23)19-28(16-9-4-10-17-28)24(25)26(31)30(27)22-12-5-3-6-13-22/h3,5-8,11-14,20H,4,9-10,15-19H2,1-2H3