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

Systemtic Name: [(Z)-[2-(butylamino)-1-cyano-2-oxidanylidene-ethylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[2-(butylamino)-1-cyano-2-oxo-ethylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[2-(butylamino)-1-cyano-2-oxoethylidene]amino] ester IUPAC Name: [(Z)-[2-(butylamino)-1-cyano-2-oxoethylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[2-(butylamino)-1-cyano-2-keto-ethylidene]amino] ester Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=NOS(=O)(=O)C1=CC=C(C=C1)C)C#N

Isomeric SMILES

CCCCNC(=O)/C(=N\OS(=O)(=O)C1=CC=C(C=C1)C)/C#N

InChI

InChI=1S/C14H17N3O4S/c1-3-4-9-16-14(18)13(10-15)17-21-22(19,20)12-7-5-11(2)6-8-12/h5-8H,3-4,9H2,1-2H3,(H,16,18)/b17-13-