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

Systemtic Name: N-[bis(azanyl)methylidene]-3-(2-cyano-5-methyl-pyrrol-1-yl)benzamide; methanesulfonate Openeye Name: 3-(2-cyano-5-methyl-pyrrol-1-yl)-N-(diaminomethylene)benzamide; methanesulfonate CAS Name: 3-(2-cyano-5-methyl-1-pyrrolyl)-N-(diaminomethylidene)benzamide; methanesulfonate IUPAC Name: 3-(2-cyano-5-methylpyrrol-1-yl)-N-(diaminomethylidene)benzamide; methanesulfonate Traditional Name: 3-(2-cyano-5-methyl-pyrrol-1-yl)-N-(diaminomethylene)benzamide mesylate Formula: C15H16N5O4S- MolecularWeight: 362.38364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)N=C(N)N)C#N.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)N=C(N)N)C#N.CS(=O)(=O)[O-]

InChI

InChI=1S/C14H13N5O.CH4O3S/c1-9-5-6-12(8-15)19(9)11-4-2-3-10(7-11)13(20)18-14(16)17;1-5(2,3)4/h2-7H,1H3,(H4,16,17,18,20);1H3,(H,2,3,4)/p-1