1-(cyclohexylmethyl)-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 1-(cyclohexylmethyl)-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 1-(cyclohexylmethyl)-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 1-(cyclohexylmethyl)-2-(prop-2-ynylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 1-(cyclohexylmethyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 1-(cyclohexylmethyl)-2-(propargylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C27H32N2OS MolecularWeight: 432.62078

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC(=O)C2=C(N1CC3CCCCC3)C4=CC=CC=C4CC25CCCCC5

Isomeric SMILES

C#CCSC1=NC(=O)C2=C(N1CC3CCCCC3)C4=CC=CC=C4CC25CCCCC5

InChI

InChI=1S/C27H32N2OS/c1-2-17-31-26-28-25(30)23-24(29(26)19-20-11-5-3-6-12-20)22-14-8-7-13-21(22)18-27(23)15-9-4-10-16-27/h1,7-8,13-14,20H,3-6,9-12,15-19H2