5-[(2S)-2-ethylsulfanylpropyl]-2-[1-(2-phenanthridin-6-ylhydrazinyl)butylidene]cyclohexane-1,3-dione

Systemtic Name: 5-[(2S)-2-ethylsulfanylpropyl]-2-[1-(2-phenanthridin-6-ylhydrazinyl)butylidene]cyclohexane-1,3-dione Openeye Name: 5-[(2S)-2-ethylsulfanylpropyl]-2-[1-(2-phenanthridin-6-ylhydrazino)butylidene]cyclohexane-1,3-dione CAS Name: 5-[(2S)-2-(ethylthio)propyl]-2-[1-(6-phenanthridinylhydrazo)butylidene]cyclohexane-1,3-dione IUPAC Name: 5-[(2S)-2-ethylsulfanylpropyl]-2-[1-(2-phenanthridin-6-ylhydrazinyl)butylidene]cyclohexane-1,3-dione Traditional Name: 5-[(2S)-2-(ethylthio)propyl]-2-[1-(N'-phenanthridin-6-ylhydrazino)butylidene]cyclohexane-1,3-quinone Formula: C28H33N3O2S MolecularWeight: 475.64552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)CC(C)SCC)NNC2=NC3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C[C@H](C)SCC)NNC2=NC3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C28H33N3O2S/c1-4-10-24(27-25(32)16-19(17-26(27)33)15-18(3)34-5-2)30-31-28-22-13-7-6-11-20(22)21-12-8-9-14-23(21)29-28/h6-9,11-14,18-19,30H,4-5,10,15-17H2,1-3H3,(H,29,31)/t18-,19?/m0/s1