N-(3-ethylphenyl)-2-[(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-ethylphenyl)-2-[(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]ethanamide Openeye Name: N-(3-ethylphenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide CAS Name: N-(3-ethylphenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)thio]acetamide IUPAC Name: N-(3-ethylphenyl)-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide Traditional Name: N-(3-ethylphenyl)-2-[(8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)thio]acetamide Formula: C20H17FN4OS MolecularWeight: 380.438583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2NC4=C3C=C(C=C4)F

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CSC2=NC=NC3=C2NC4=C3C=C(C=C4)F

InChI

InChI=1S/C20H17FN4OS/c1-2-12-4-3-5-14(8-12)24-17(26)10-27-20-19-18(22-11-23-20)15-9-13(21)6-7-16(15)25-19/h3-9,11,25H,2,10H2,1H3,(H,24,26)