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

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC2=C(C(=O)N1C3CCCC3)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

C#CCSC1=NC2=C(C(=O)N1C3CCCC3)C4(CCCCC4)CC5=CC=CC=C52

InChI

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