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

Systemtic Name: 4-ethylsulfanyl-2-(phenylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] Openeye Name: 2-benzyl-4-ethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] CAS Name: 4-(ethylthio)-2-(phenylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] IUPAC Name: 2-benzyl-4-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] Traditional Name: 2-benzyl-4-(ethylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] Formula: C26H28N2S MolecularWeight: 400.57892

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=NC2=C1C3(CCCCC3)CC4=CC=CC=C42)CC5=CC=CC=C5

Isomeric SMILES

CCSC1=NC(=NC2=C1C3(CCCCC3)CC4=CC=CC=C42)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N2S/c1-2-29-25-23-24(27-22(28-25)17-19-11-5-3-6-12-19)21-14-8-7-13-20(21)18-26(23)15-9-4-10-16-26/h3,5-8,11-14H,2,4,9-10,15-18H2,1H3