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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)C(=N2)SCC=C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)C(=N2)SCC=C

InChI

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