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

Systemtic Name: [(Z)-[2-(benzotriazol-1-yl)-1-phenyl-ethylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[2-(benzotriazol-1-yl)-1-phenyl-ethylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[2-(1-benzotriazolyl)-1-phenylethylidene]amino] ester IUPAC Name: [(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[2-(benzotriazol-1-yl)-1-phenyl-ethylidene]amino] ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(CN2C3=CC=CC=C3N=N2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(\CN2C3=CC=CC=C3N=N2)/C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3S/c1-16-11-13-18(14-12-16)29(26,27)28-23-20(17-7-3-2-4-8-17)15-25-21-10-6-5-9-19(21)22-24-25/h2-14H,15H2,1H3/b23-20+