N-[bis(azanyl)methylidene]-3-(3-cyano-1,5-dimethyl-pyrrol-2-yl)benzamide; methanesulfonate

Systemtic Name: N-[bis(azanyl)methylidene]-3-(3-cyano-1,5-dimethyl-pyrrol-2-yl)benzamide; methanesulfonate Openeye Name: 3-(3-cyano-1,5-dimethyl-pyrrol-2-yl)-N-(diaminomethylene)benzamide; methanesulfonate CAS Name: 3-(3-cyano-1,5-dimethyl-2-pyrrolyl)-N-(diaminomethylidene)benzamide; methanesulfonate IUPAC Name: 3-(3-cyano-1,5-dimethylpyrrol-2-yl)-N-(diaminomethylidene)benzamide; methanesulfonate Traditional Name: 3-(3-cyano-1,5-dimethyl-pyrrol-2-yl)-N-(diaminomethylene)benzamide mesylate Formula: C16H18N5O4S- MolecularWeight: 376.41022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C2=CC(=CC=C2)C(=O)N=C(N)N)C#N.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C)C2=CC(=CC=C2)C(=O)N=C(N)N)C#N.CS(=O)(=O)[O-]

InChI

InChI=1S/C15H15N5O.CH4O3S/c1-9-6-12(8-16)13(20(9)2)10-4-3-5-11(7-10)14(21)19-15(17)18;1-5(2,3)4/h3-7H,1-2H3,(H4,17,18,19,21);1H3,(H,2,3,4)/p-1