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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4S/c1-10(2)9-16-14(18)13(8-15)17-21-22(19,20)12-6-4-11(3)5-7-12/h4-7,10H,9H2,1-3H3,(H,16,18)/b17-13-