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

Systemtic Name: 2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-olate Openeye Name: 2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-olate CAS Name: 2-(phenethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]olate IUPAC Name: 2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-olate Traditional Name: 2-(phenethylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-olate Formula: C25H25N2OS- MolecularWeight: 401.5438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=NC(=N4)SCCC5=CC=CC=C5)[O-]

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=NC(=N4)SCCC5=CC=CC=C5)[O-]

InChI

InChI=1S/C25H26N2OS/c28-23-21-22(26-24(27-23)29-16-13-18-9-3-1-4-10-18)20-12-6-5-11-19(20)17-25(21)14-7-2-8-15-25/h1,3-6,9-12H,2,7-8,13-17H2,(H,26,27,28)/p-1