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

Systemtic Name: 2-azanyl-N-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl]-3-phenyl-propanamide Openeye Name: 2-amino-N-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl)-3-phenyl-propanamide CAS Name: 2-amino-N-[6-(2-phenoxathiinyl)-4-(phenylmethyl)-3-pyridazinyl]-3-phenylpropanamide IUPAC Name: 2-amino-N-(4-benzyl-6-phenoxathiin-2-ylpyridazin-3-yl)-3-phenylpropanamide Traditional Name: 2-amino-N-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl)-3-phenyl-propionamide Formula: C32H26N4O2S MolecularWeight: 530.63944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=NN=C2NC(=O)C(CC3=CC=CC=C3)N)C4=CC5=C(C=C4)OC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=NN=C2NC(=O)C(CC3=CC=CC=C3)N)C4=CC5=C(C=C4)OC6=CC=CC=C6S5

InChI

InChI=1S/C32H26N4O2S/c33-25(18-22-11-5-2-6-12-22)32(37)34-31-24(17-21-9-3-1-4-10-21)19-26(35-36-31)23-15-16-28-30(20-23)39-29-14-8-7-13-27(29)38-28/h1-16,19-20,25H,17-18,33H2,(H,34,36,37)