1-cyclohexyl-3-ethylsulfanyl-spiro[6H-benzo[h]cinnoline-5,1'-cyclohexane]-4-one

Systemtic Name: 1-cyclohexyl-3-ethylsulfanyl-spiro[6H-benzo[h]cinnoline-5,1'-cyclohexane]-4-one Openeye Name: 1-cyclohexyl-3-ethylsulfanyl-spiro[6H-benzo[h]cinnoline-5,1'-cyclohexane]-4-one CAS Name: 1-cyclohexyl-3-(ethylthio)-4-spiro[6H-benzo[h]cinnoline-5,1'-cyclohexane]one IUPAC Name: 1-cyclohexyl-3-ethylsulfanylspiro[6H-benzo[h]cinnoline-5,1'-cyclohexane]-4-one Traditional Name: 1-cyclohexyl-3-(ethylthio)spiro[6H-benzo[h]cinnoline-5,1'-cyclohexane]-4-one Formula: C25H32N2OS MolecularWeight: 408.59938

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN(C2=C(C1=O)C3(CCCCC3)CC4=CC=CC=C42)C5CCCCC5

Isomeric SMILES

CCSC1=NN(C2=C(C1=O)C3(CCCCC3)CC4=CC=CC=C42)C5CCCCC5

InChI

InChI=1S/C25H32N2OS/c1-2-29-24-23(28)21-22(27(26-24)19-12-5-3-6-13-19)20-14-8-7-11-18(20)17-25(21)15-9-4-10-16-25/h7-8,11,14,19H,2-6,9-10,12-13,15-17H2,1H3