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

Systemtic Name: 4-methylsulfanyl-2-(phenylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] Openeye Name: 2-benzyl-4-methylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] CAS Name: 4-(methylthio)-2-(phenylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] IUPAC Name: 2-benzyl-4-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] Traditional Name: 2-benzyl-4-(methylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] Formula: C25H26N2S MolecularWeight: 386.55234

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC2=C1C3(CCCCC3)CC4=CC=CC=C42)CC5=CC=CC=C5

Isomeric SMILES

CSC1=NC(=NC2=C1C3(CCCCC3)CC4=CC=CC=C42)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N2S/c1-28-24-22-23(26-21(27-24)16-18-10-4-2-5-11-18)20-13-7-6-12-19(20)17-25(22)14-8-3-9-15-25/h2,4-7,10-13H,3,8-9,14-17H2,1H3