6-oxidanylidene-1-(2-phenoxyethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridazine-3-carboxamide

Systemtic Name: 6-oxidanylidene-1-(2-phenoxyethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridazine-3-carboxamide Openeye Name: 6-oxo-1-(2-phenoxyethyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]pyridazine-3-carboxamide CAS Name: 6-oxo-1-(2-phenoxyethyl)-N-[4-(3-pyridinylmethylthio)phenyl]-3-pyridazinecarboxamide IUPAC Name: 6-oxo-1-(2-phenoxyethyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridazine-3-carboxamide Traditional Name: 6-keto-1-(2-phenoxyethyl)-N-[4-(3-pyridylmethylthio)phenyl]pyridazine-3-carboxamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCN2C(=O)C=CC(=N2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)OCCN2C(=O)C=CC(=N2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C25H22N4O3S/c30-24-13-12-23(28-29(24)15-16-32-21-6-2-1-3-7-21)25(31)27-20-8-10-22(11-9-20)33-18-19-5-4-14-26-17-19/h1-14,17H,15-16,18H2,(H,27,31)