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

Systemtic Name: N-[bis(azanyl)methylidene]-3-(2-cyanopyrrol-1-yl)benzamide; 2-oxidanylethanesulfonic acid Openeye Name: 3-(2-cyanopyrrol-1-yl)-N-(diaminomethylene)benzamide; 2-hydroxyethanesulfonic acid CAS Name: 3-(2-cyano-1-pyrrolyl)-N-(diaminomethylidene)benzamide; 2-hydroxyethanesulfonic acid IUPAC Name: 3-(2-cyanopyrrol-1-yl)-N-(diaminomethylidene)benzamide; 2-hydroxyethanesulfonic acid Traditional Name: 3-(2-cyanopyrrol-1-yl)-N-(diaminomethylene)benzamide; 2-hydroxyethanesulfonic acid Formula: C15H17N5O5S MolecularWeight: 379.39098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O.C2H6O4S/c14-8-11-5-2-6-18(11)10-4-1-3-9(7-10)12(19)17-13(15)16;3-1-2-7(4,5)6/h1-7H,(H4,15,16,17,19);3H,1-2H2,(H,4,5,6)