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

Systemtic Name: 2-(3-methylbutylsulfanyl)-3-prop-2-enyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-allyl-2-isopentylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(3-methylbutylthio)-3-prop-2-enyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-(3-methylbutylsulfanyl)-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-allyl-2-(isoamylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C25H32N2OS MolecularWeight: 408.59938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(C(=O)N1CC=C)C3(CCCCC3)CC4=CC=CC=C42

Isomeric SMILES

CC(C)CCSC1=NC2=C(C(=O)N1CC=C)C3(CCCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C25H32N2OS/c1-4-15-27-23(28)21-22(26-24(27)29-16-12-18(2)3)20-11-7-6-10-19(20)17-25(21)13-8-5-9-14-25/h4,6-7,10-11,18H,1,5,8-9,12-17H2,2-3H3