N-[bis(azanyl)methylidene]-3-(2-cyanopyrrol-1-yl)benzamide; methanesulfonate

Systemtic Name: N-[bis(azanyl)methylidene]-3-(2-cyanopyrrol-1-yl)benzamide; methanesulfonate Openeye Name: 3-(2-cyanopyrrol-1-yl)-N-(diaminomethylene)benzamide; methanesulfonate CAS Name: 3-(2-cyano-1-pyrrolyl)-N-(diaminomethylidene)benzamide; methanesulfonate IUPAC Name: 3-(2-cyanopyrrol-1-yl)-N-(diaminomethylidene)benzamide; methanesulfonate Traditional Name: 3-(2-cyanopyrrol-1-yl)-N-(diaminomethylene)benzamide mesylate Formula: C14H14N5O4S- MolecularWeight: 348.35706

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC(=CC(=C1)N2C=CC=C2C#N)C(=O)N=C(N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC(=CC(=C1)N2C=CC=C2C#N)C(=O)N=C(N)N

InChI

InChI=1S/C13H11N5O.CH4O3S/c14-8-11-5-2-6-18(11)10-4-1-3-9(7-10)12(19)17-13(15)16;1-5(2,3)4/h1-7H,(H4,15,16,17,19);1H3,(H,2,3,4)/p-1