6-oxidanylidene-1-(2-phenoxyethyl)-N-(2-prop-2-enylsulfanylphenyl)pyridazine-3-carboxamide

Systemtic Name: 6-oxidanylidene-1-(2-phenoxyethyl)-N-(2-prop-2-enylsulfanylphenyl)pyridazine-3-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide CAS Name: 6-oxo-1-(2-phenoxyethyl)-N-[2-(prop-2-enylthio)phenyl]-3-pyridazinecarboxamide IUPAC Name: 6-oxo-1-(2-phenoxyethyl)-N-(2-prop-2-enylsulfanylphenyl)pyridazine-3-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-6-keto-1-(2-phenoxyethyl)pyridazine-3-carboxamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S/c1-2-16-29-20-11-7-6-10-18(20)23-22(27)19-12-13-21(26)25(24-19)14-15-28-17-8-4-3-5-9-17/h2-13H,1,14-16H2,(H,23,27)