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

Systemtic Name: 3-phenethyl-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-phenethyl-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-phenethyl-2-(prop-2-ynylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-phenethyl-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-phenethyl-2-(propargylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C27H26N2OS MolecularWeight: 426.57314

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

C#CCSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C27H26N2OS/c1-2-18-31-26-28-24-22-13-7-6-12-21(22)19-27(15-8-9-16-27)23(24)25(30)29(26)17-14-20-10-4-3-5-11-20/h1,3-7,10-13H,8-9,14-19H2