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

Systemtic Name: 3-(4-methylphenyl)-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-prop-2-ynylsulfanyl-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(4-methylphenyl)-2-(prop-2-ynylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(4-methylphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(propargylthio)-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C27H26N2OS MolecularWeight: 426.57314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#C

InChI

InChI=1S/C27H26N2OS/c1-3-17-31-26-28-24-22-10-6-5-9-20(22)18-27(15-7-4-8-16-27)23(24)25(30)29(26)21-13-11-19(2)12-14-21/h1,5-6,9-14H,4,7-8,15-18H2,2H3