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

Systemtic Name: 3-(2-methoxyphenyl)-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-(2-methoxyphenyl)-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(2-methoxyphenyl)-2-(prop-2-ynylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(2-methoxyphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-(2-methoxyphenyl)-2-(propargylthio)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=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#C

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#C

InChI

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