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

Systemtic Name: 2-cyclopentylsulfanyl-3-(furan-2-ylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-cyclopentylsulfanyl-3-(2-furylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(cyclopentylthio)-3-(2-furanylmethyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-cyclopentylsulfanyl-3-(furan-2-ylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(cyclopentylthio)-3-(2-furfuryl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SC5CCCC5)CC6=CC=CO6

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SC5CCCC5)CC6=CC=CO6

InChI

InChI=1S/C27H30N2O2S/c30-25-23-24(22-13-5-2-9-19(22)17-27(23)14-6-1-7-15-27)28-26(32-21-11-3-4-12-21)29(25)18-20-10-8-16-31-20/h2,5,8-10,13,16,21H,1,3-4,6-7,11-12,14-15,17-18H2