3-methyl-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 3-methyl-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-isopropylsulfanyl-3-methyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-methyl-2-(propan-2-ylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-methyl-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(isopropylthio)-3-methyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C(=O)N1C)C3(CCCCC3)CC4=CC=CC=C42

Isomeric SMILES

CC(C)SC1=NC2=C(C(=O)N1C)C3(CCCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C21H26N2OS/c1-14(2)25-20-22-18-16-10-6-5-9-15(16)13-21(11-7-4-8-12-21)17(18)19(24)23(20)3/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3