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

Systemtic Name: 1-cyclohexyl-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 1-cyclohexyl-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 1-cyclohexyl-2-(prop-2-ynylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 1-cyclohexyl-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 1-cyclohexyl-2-(propargylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C26H30N2OS MolecularWeight: 418.5942

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC(=O)C2=C(N1C3CCCCC3)C4=CC=CC=C4CC25CCCCC5

Isomeric SMILES

C#CCSC1=NC(=O)C2=C(N1C3CCCCC3)C4=CC=CC=C4CC25CCCCC5

InChI

InChI=1S/C26H30N2OS/c1-2-17-30-25-27-24(29)22-23(28(25)20-12-5-3-6-13-20)21-14-8-7-11-19(21)18-26(22)15-9-4-10-16-26/h1,7-8,11,14,20H,3-6,9-10,12-13,15-18H2