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

Systemtic Name: 2-ethylsulfanyl-3-(phenylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-benzyl-2-ethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(ethylthio)-3-(phenylmethyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-benzyl-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-benzyl-2-(ethylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C26H28N2OS/c1-2-30-25-27-23-21-14-8-7-13-20(21)17-26(15-9-4-10-16-26)22(23)24(29)28(25)18-19-11-5-3-6-12-19/h3,5-8,11-14H,2,4,9-10,15-18H2,1H3