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

Systemtic Name: 1-phenyl-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 1-phenyl-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 1-phenyl-2-(prop-2-ynylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 1-phenyl-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 1-phenyl-2-(propargylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C25H22N2OS MolecularWeight: 398.51998

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC(=O)C2=C(N1C3=CC=CC=C3)C4=CC=CC=C4CC25CCCC5

Isomeric SMILES

C#CCSC1=NC(=O)C2=C(N1C3=CC=CC=C3)C4=CC=CC=C4CC25CCCC5

InChI

InChI=1S/C25H22N2OS/c1-2-16-29-24-26-23(28)21-22(27(24)19-11-4-3-5-12-19)20-13-7-6-10-18(20)17-25(21)14-8-9-15-25/h1,3-7,10-13H,8-9,14-17H2