N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-6-oxo-1-propyl-pyridazine-3-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-6-oxo-1-propyl-3-pyridazinecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-6-keto-1-propyl-pyridazine-3-carboxamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N4O2S/c1-2-13-26-21(27)12-11-18(25-26)22(28)23-16-9-7-15(8-10-16)14-20-24-17-5-3-4-6-19(17)29-20/h3-12H,2,13-14H2,1H3,(H,23,28)