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

Systemtic Name: 3-(2-methylphenyl)-2-prop-2-enylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-allylsulfanyl-3-(o-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(2-methylphenyl)-2-(prop-2-enylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(2-methylphenyl)-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(allylthio)-3-(o-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC=C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC=C

InChI

InChI=1S/C27H28N2OS/c1-3-17-31-26-28-24-21-13-7-6-12-20(21)18-27(15-9-4-10-16-27)23(24)25(30)29(26)22-14-8-5-11-19(22)2/h3,5-8,11-14H,1,4,9-10,15-18H2,2H3