[(E)-[1-(benzotriazol-1-yl)-2-oxidanylidene-2-phenyl-ethylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-[1-(benzotriazol-1-yl)-2-oxidanylidene-2-phenyl-ethylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-[1-(benzotriazol-1-yl)-2-oxo-2-phenyl-ethylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-[1-(1-benzotriazolyl)-2-oxo-2-phenylethylidene]amino] ester IUPAC Name: [(E)-[1-(benzotriazol-1-yl)-2-oxo-2-phenylethylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-[1-(benzotriazol-1-yl)-2-keto-2-phenyl-ethylidene]amino] ester Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C(=O)C2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(\C(=O)C2=CC=CC=C2)/N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H16N4O4S/c1-15-11-13-17(14-12-15)30(27,28)29-23-21(20(26)16-7-3-2-4-8-16)25-19-10-6-5-9-18(19)22-24-25/h2-14H,1H3/b23-21+