N-[azanyl-[(2-chlorophenyl)amino]methylidene]-2-(6-methylpyridin-3-yl)prop-2-enamide; methanesulfonate

Systemtic Name: N-[azanyl-[(2-chlorophenyl)amino]methylidene]-2-(6-methylpyridin-3-yl)prop-2-enamide; methanesulfonate Openeye Name: N-[amino-(2-chloroanilino)methylene]-2-(6-methyl-3-pyridyl)prop-2-enamide; methanesulfonate CAS Name: N-[amino-(2-chloroanilino)methylidene]-2-(6-methyl-3-pyridinyl)-2-propenamide; methanesulfonate IUPAC Name: N-[amino-(2-chloroanilino)methylidene]-2-(6-methylpyridin-3-yl)prop-2-enamide; methanesulfonate Traditional Name: N-[amino-(2-chloroanilino)methylene]-2-(6-methyl-3-pyridyl)acrylamide mesylate Formula: C17H18ClN4O4S- MolecularWeight: 409.86722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=C)C(=O)N=C(N)NC2=CC=CC=C2Cl.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1)C(=C)C(=O)N=C(N)NC2=CC=CC=C2Cl.CS(=O)(=O)[O-]

InChI

InChI=1S/C16H15ClN4O.CH4O3S/c1-10-7-8-12(9-19-10)11(2)15(22)21-16(18)20-14-6-4-3-5-13(14)17;1-5(2,3)4/h3-9H,2H2,1H3,(H3,18,20,21,22);1H3,(H,2,3,4)/p-1