2-methoxy-3-(4-prop-2-ynylsulfanylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-methoxy-3-(4-prop-2-ynylsulfanylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-methoxy-3-(4-prop-2-ynylsulfanylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-methoxy-3-[4-(prop-2-ynylthio)phenyl]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-methoxy-3-(4-prop-2-ynylsulfanylphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-methoxy-3-[4-(propargylthio)phenyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(C(=O)N1C3=CC=C(C=C3)SCC#C)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

COC1=NC2=C(C(=O)N1C3=CC=C(C=C3)SCC#C)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C27H26N2O2S/c1-3-17-32-21-13-11-20(12-14-21)29-25(30)23-24(28-26(29)31-2)22-10-6-5-9-19(22)18-27(23)15-7-4-8-16-27/h1,5-6,9-14H,4,7-8,15-18H2,2H3