N-[bis(azanyl)methylidene]-4-imidazol-1-yl-3-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-imidazol-1-yl-3-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-4-imidazol-1-yl-3-methylsulfonyl-benzamide CAS Name: N-(diaminomethylidene)-4-(1-imidazolyl)-3-methylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-4-imidazol-1-yl-3-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-4-imidazol-1-yl-3-mesyl-benzamide Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O3S/c1-21(19,20)10-6-8(11(18)16-12(13)14)2-3-9(10)17-5-4-15-7-17/h2-7H,1H3,(H4,13,14,16,18)