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

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC2=C(C3(CCCC3)CC4=CC=CC=C42)N(C1=O)CC5=CC=CC=C5

Isomeric SMILES

C#CCSC1=NC2=C(C3(CCCC3)CC4=CC=CC=C42)N(C1=O)CC5=CC=CC=C5

InChI

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