N-[azanyl-[(2-methylphenyl)amino]methylidene]-2-pyridin-3-yl-prop-2-enamide; methanesulfonate

Systemtic Name: N-[azanyl-[(2-methylphenyl)amino]methylidene]-2-pyridin-3-yl-prop-2-enamide; methanesulfonate Openeye Name: N-[amino-(2-methylanilino)methylene]-2-(3-pyridyl)prop-2-enamide; methanesulfonate CAS Name: N-[amino-(2-methylanilino)methylidene]-2-(3-pyridinyl)-2-propenamide; methanesulfonate IUPAC Name: N-[amino-(2-methylanilino)methylidene]-2-pyridin-3-ylprop-2-enamide; methanesulfonate Traditional Name: N-[amino(o-toluidino)methylene]-2-(3-pyridyl)acrylamide mesylate Formula: C17H19N4O4S- MolecularWeight: 375.42216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=NC(=O)C(=C)C2=CN=CC=C2)N.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=NC(=O)C(=C)C2=CN=CC=C2)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C16H16N4O.CH4O3S/c1-11-6-3-4-8-14(11)19-16(17)20-15(21)12(2)13-7-5-9-18-10-13;1-5(2,3)4/h3-10H,2H2,1H3,(H3,17,19,20,21);1H3,(H,2,3,4)/p-1