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

Systemtic Name: 3-(phenylmethyl)-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-benzyl-2-prop-2-ynylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(phenylmethyl)-2-(prop-2-ynylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-benzyl-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-benzyl-2-(propargylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C26H24N2OS MolecularWeight: 412.54656

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

C#CCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C26H24N2OS/c1-2-16-30-25-27-23-21-13-7-6-12-20(21)17-26(14-8-9-15-26)22(23)24(29)28(25)18-19-10-4-3-5-11-19/h1,3-7,10-13H,8-9,14-18H2