N-cyclopropyl-3-[2-[(8-fluoranyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-3-[2-[(8-fluoranyl-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-3-[[2-[(8-fluoro-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-3-[[2-[(8-fluoro-5H-pyridazino[4,5-b]indol-4-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-3-[[2-[(8-fluoro-5H-pyridazino[4,5-b]indol-4-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-3-[[2-[(8-fluoro-5H-pyridazin[4,5-b]indol-4-yl)thio]acetyl]amino]benzamide Formula: C22H18FN5O2S MolecularWeight: 435.474023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=C4C(=CN=N3)C5=C(N4)C=CC(=C5)F

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=C4C(=CN=N3)C5=C(N4)C=CC(=C5)F

InChI

InChI=1S/C22H18FN5O2S/c23-13-4-7-18-16(9-13)17-10-24-28-22(20(17)27-18)31-11-19(29)25-15-3-1-2-12(8-15)21(30)26-14-5-6-14/h1-4,7-10,14,27H,5-6,11H2,(H,25,29)(H,26,30)