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

Systemtic Name: [(Z)-[1-cyano-2-oxidanylidene-2-(phenethylamino)ethylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]amino] ester IUPAC Name: [(Z)-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[1-cyano-2-keto-2-(phenethylamino)ethylidene]amino] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C#N)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(/C#N)\C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C18H17N3O4S/c1-14-7-9-16(10-8-14)26(23,24)25-21-17(13-19)18(22)20-12-11-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,20,22)/b21-17-