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

Systemtic Name: [(Z)-[1-cyano-2-oxidanylidene-2-[(phenylmethyl)amino]ethylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[2-(benzylamino)-1-cyano-2-oxo-ethylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[1-cyano-2-oxo-2-[(phenylmethyl)amino]ethylidene]amino] ester IUPAC Name: [(Z)-[2-(benzylamino)-1-cyano-2-oxoethylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[2-(benzylamino)-1-cyano-2-keto-ethylidene]amino] ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C#N)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(/C#N)\C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H15N3O4S/c1-13-7-9-15(10-8-13)25(22,23)24-20-16(11-18)17(21)19-12-14-5-3-2-4-6-14/h2-10H,12H2,1H3,(H,19,21)/b20-16-