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

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-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] 3-nitrobenzenesulfonate Traditional Name: 3-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(=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C3C(=O)N=C(S3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C3C(=O)N=C(S3)N)[N+](=O)[O-]

InChI

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