N-[2,4-bis(fluoranyl)phenyl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,4-difluorophenyl)-2-[(5-isopropyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide CAS Name: N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetamide IUPAC Name: N-(2,4-difluorophenyl)-2-[(5-propan-2-yl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,4-difluorophenyl)-2-[(5-isopropyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetamide Formula: C20H17F2N5OS MolecularWeight: 413.443686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

CC(C)N1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C20H17F2N5OS/c1-11(2)27-16-6-4-3-5-13(16)18-19(27)24-20(26-25-18)29-10-17(28)23-15-8-7-12(21)9-14(15)22/h3-9,11H,10H2,1-2H3,(H,23,28)