N-(3-ethoxypropyl)-2-[(8-fluoranyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-ethoxypropyl)-2-[(8-fluoranyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-ethoxypropyl)-2-[(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide CAS Name: N-(3-ethoxypropyl)-2-[(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetamide IUPAC Name: N-(3-ethoxypropyl)-2-[(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-ethoxypropyl)-2-[(8-fluoro-5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetamide Formula: C17H20FN5O2S MolecularWeight: 377.436403

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)CSC1=NC2=C(C3=C(N2C)C=CC(=C3)F)N=N1

Isomeric SMILES

CCOCCCNC(=O)CSC1=NC2=C(C3=C(N2C)C=CC(=C3)F)N=N1

InChI

InChI=1S/C17H20FN5O2S/c1-3-25-8-4-7-19-14(24)10-26-17-20-16-15(21-22-17)12-9-11(18)5-6-13(12)23(16)2/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,19,24)