[(Z)-[1-cyano-2-oxidanylidene-2-(propan-2-ylamino)ethylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-[1-cyano-2-oxidanylidene-2-(propan-2-ylamino)ethylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[1-cyano-2-(isopropylamino)-2-oxo-ethylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[1-cyano-2-oxo-2-(propan-2-ylamino)ethylidene]amino] ester IUPAC Name: [(Z)-[1-cyano-2-oxo-2-(propan-2-ylamino)ethylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[1-cyano-2-(isopropylamino)-2-keto-ethylidene]amino] ester Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C#N)C(=O)NC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(/C#N)\C(=O)NC(C)C

InChI

InChI=1S/C13H15N3O4S/c1-9(2)15-13(17)12(8-14)16-20-21(18,19)11-6-4-10(3)5-7-11/h4-7,9H,1-3H3,(H,15,17)/b16-12-