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

Systemtic Name: 3-(3-methylphenyl)-2-methylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-methylsulfanyl-3-(m-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(3-methylphenyl)-2-(methylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(3-methylphenyl)-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(methylthio)-3-(m-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C25H26N2OS MolecularWeight: 402.55174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SC

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SC

InChI

InChI=1S/C25H26N2OS/c1-17-9-8-11-19(15-17)27-23(28)21-22(26-24(27)29-2)20-12-5-4-10-18(20)16-25(21)13-6-3-7-14-25/h4-5,8-12,15H,3,6-7,13-14,16H2,1-2H3