2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-olate

Systemtic Name: 2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-olate Openeye Name: 2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-olate CAS Name: 2-(phenethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]olate IUPAC Name: 2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-olate Traditional Name: 2-(phenethylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-olate Formula: C24H23N2OS- MolecularWeight: 387.51722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=NC(=N4)SCCC5=CC=CC=C5)[O-]

Isomeric SMILES

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=NC(=N4)SCCC5=CC=CC=C5)[O-]

InChI

InChI=1S/C24H24N2OS/c27-22-20-21(25-23(26-22)28-15-12-17-8-2-1-3-9-17)19-11-5-4-10-18(19)16-24(20)13-6-7-14-24/h1-5,8-11H,6-7,12-16H2,(H,25,26,27)/p-1