2-azanyl-N-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl]propanamide

Systemtic Name: 2-azanyl-N-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl]propanamide Openeye Name: 2-amino-N-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl)propanamide CAS Name: 2-amino-N-[6-(2-phenoxathiinyl)-4-(phenylmethyl)-3-pyridazinyl]propanamide IUPAC Name: 2-amino-N-(4-benzyl-6-phenoxathiin-2-ylpyridazin-3-yl)propanamide Traditional Name: 2-amino-N-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl)propionamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NN=C(C=C1CC2=CC=CC=C2)C3=CC4=C(C=C3)OC5=CC=CC=C5S4)N

Isomeric SMILES

CC(C(=O)NC1=NN=C(C=C1CC2=CC=CC=C2)C3=CC4=C(C=C3)OC5=CC=CC=C5S4)N

InChI

InChI=1S/C26H22N4O2S/c1-16(27)26(31)28-25-19(13-17-7-3-2-4-8-17)14-20(29-30-25)18-11-12-22-24(15-18)33-23-10-6-5-9-21(23)32-22/h2-12,14-16H,13,27H2,1H3,(H,28,30,31)