2-(phenylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-olate

Systemtic Name: 2-(phenylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-olate Openeye Name: 2-benzylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-olate CAS Name: 2-(phenylmethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]olate IUPAC Name: 2-benzylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-olate Traditional Name: 2-(benzylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-olate Formula: C23H21N2OS- MolecularWeight: 373.49064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=NC(=N4)SCC5=CC=CC=C5)[O-]

Isomeric SMILES

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=NC(=N4)SCC5=CC=CC=C5)[O-]

InChI

InChI=1S/C23H22N2OS/c26-21-19-20(24-22(25-21)27-15-16-8-2-1-3-9-16)18-11-5-4-10-17(18)14-23(19)12-6-7-13-23/h1-5,8-11H,6-7,12-15H2,(H,24,25,26)/p-1