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

Systemtic Name: 9-methyl-2-(phenylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-olate Openeye Name: 2-benzylsulfanyl-9-methyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-olate CAS Name: 9-methyl-2-(phenylmethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]olate IUPAC Name: 2-benzylsulfanyl-9-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-olate Traditional Name: 2-(benzylthio)-9-methyl-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:

CC1=CC2=C(CC3(CCCCC3)C4=C2N=C(N=C4[O-])SCC5=CC=CC=C5)C=C1

Isomeric SMILES

CC1=CC2=C(CC3(CCCCC3)C4=C2N=C(N=C4[O-])SCC5=CC=CC=C5)C=C1

InChI

InChI=1S/C25H26N2OS/c1-17-10-11-19-15-25(12-6-3-7-13-25)21-22(20(19)14-17)26-24(27-23(21)28)29-16-18-8-4-2-5-9-18/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3,(H,26,27,28)/p-1