N-[bis(azanyl)methylidene]-2-cyano-5-methylsulfonyl-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-cyano-5-methylsulfonyl-4-pyrrol-1-yl-benzamide Openeye Name: 2-cyano-N-(diaminomethylene)-5-methylsulfonyl-4-pyrrol-1-yl-benzamide CAS Name: 2-cyano-N-(diaminomethylidene)-5-methylsulfonyl-4-(1-pyrrolyl)benzamide IUPAC Name: 2-cyano-N-(diaminomethylidene)-5-methylsulfonyl-4-pyrrol-1-ylbenzamide Traditional Name: 2-cyano-N-(diaminomethylene)-5-mesyl-4-pyrrol-1-yl-benzamide Formula: C14H13N5O3S MolecularWeight: 331.34972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)C#N)N2C=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)C#N)N2C=CC=C2

InChI

InChI=1S/C14H13N5O3S/c1-23(21,22)12-7-10(13(20)18-14(16)17)9(8-15)6-11(12)19-4-2-3-5-19/h2-7H,1H3,(H4,16,17,18,20)