2-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 2-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 2-(4-methyl-1-oxo-benzothiopheno[2,3-d]pyridazin-2-yl)-N-(3-pyridylmethyl)propanamide CAS Name: 2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-(3-pyridinylmethyl)propanamide IUPAC Name: 2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 2-(1-keto-4-methyl-benzothiopheno[2,3-d]pyridazin-2-yl)-N-(3-pyridylmethyl)propionamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)C(C)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)C(C)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C20H18N4O2S/c1-12-18-17(15-7-3-4-8-16(15)27-18)20(26)24(23-12)13(2)19(25)22-11-14-6-5-9-21-10-14/h3-10,13H,11H2,1-2H3,(H,22,25)