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

Systemtic Name: [2-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-4-bromanyl-phenyl] benzenesulfonate Openeye Name: [2-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-4-bromo-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(2-amino-4-oxo-5-thiazolylidene)methyl]-4-bromophenyl] ester IUPAC Name: [2-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-4-bromophenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-4-bromo-phenyl] ester Formula: C16H11BrN2O4S2 MolecularWeight: 439.30354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C=C3C(=O)N=C(S3)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C=C3C(=O)N=C(S3)N

InChI

InChI=1S/C16H11BrN2O4S2/c17-11-6-7-13(23-25(21,22)12-4-2-1-3-5-12)10(8-11)9-14-15(20)19-16(18)24-14/h1-9H,(H2,18,19,20)