N-[bis(azanyl)methylidene]-2-cyano-3-methylsulfonyl-4-propan-2-yl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-cyano-3-methylsulfonyl-4-propan-2-yl-benzamide Openeye Name: 2-cyano-N-(diaminomethylene)-4-isopropyl-3-methylsulfonyl-benzamide CAS Name: 2-cyano-N-(diaminomethylidene)-3-methylsulfonyl-4-propan-2-ylbenzamide IUPAC Name: 2-cyano-N-(diaminomethylidene)-3-methylsulfonyl-4-propan-2-ylbenzamide Traditional Name: 2-cyano-N-(diaminomethylene)-4-isopropyl-3-mesyl-benzamide Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(C=C1)C(=O)N=C(N)N)C#N)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=C(C(=C(C=C1)C(=O)N=C(N)N)C#N)S(=O)(=O)C

InChI

InChI=1S/C13H16N4O3S/c1-7(2)8-4-5-9(12(18)17-13(15)16)10(6-14)11(8)21(3,19)20/h4-5,7H,1-3H3,(H4,15,16,17,18)