[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-[(2-amino-4-oxo-5-thiazolylidene)methyl]phenyl] ester IUPAC Name: [4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]phenyl] ester Formula: C16H11N3O6S2 MolecularWeight: 405.40504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)N=C(S2)N)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=C2C(=O)N=C(S2)N)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O6S2/c17-16-18-15(20)14(26-16)9-10-1-5-12(6-2-10)25-27(23,24)13-7-3-11(4-8-13)19(21)22/h1-9H,(H2,17,18,20)