3-cyclohexyl-2-prop-2-ynylsulfanyl-spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one

Systemtic Name: 3-cyclohexyl-2-prop-2-ynylsulfanyl-spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one Openeye Name: 3-cyclohexyl-2-prop-2-ynylsulfanyl-spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one CAS Name: 3-cyclohexyl-2-(prop-2-ynylthio)-4-spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]one IUPAC Name: 3-cyclohexyl-2-prop-2-ynylsulfanylspiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one Traditional Name: 3-cyclohexyl-2-(propargylthio)spiro[5H-benzo[h]quinazoline-6,1'-cyclopentane]-4-one Formula: C25H28N2OS MolecularWeight: 404.56762

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC2=C(CC3(CCCC3)C4=CC=CC=C42)C(=O)N1C5CCCCC5

Isomeric SMILES

C#CCSC1=NC2=C(CC3(CCCC3)C4=CC=CC=C42)C(=O)N1C5CCCCC5

InChI

InChI=1S/C25H28N2OS/c1-2-16-29-24-26-22-19-12-6-7-13-21(19)25(14-8-9-15-25)17-20(22)23(28)27(24)18-10-4-3-5-11-18/h1,6-7,12-13,18H,3-5,8-11,14-17H2