N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide Openeye Name: 1-benzyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxo-pyridazine-3-carboxamide CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide IUPAC Name: 1-benzyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-6-oxopyridazine-3-carboxamide Traditional Name: 1-benzyl-6-keto-N-methyl-N-[4-(methylthio)benzyl]pyridazine-3-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-23(14-17-8-10-18(27-2)11-9-17)21(26)19-12-13-20(25)24(22-19)15-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3