4-[2-[(3-bromophenyl)amino]-1,3-thiazol-4-yl]phenol; ethanedioic acid

Systemtic Name: 4-[2-[(3-bromophenyl)amino]-1,3-thiazol-4-yl]phenol; ethanedioic acid Openeye Name: 4-[2-(3-bromoanilino)thiazol-4-yl]phenol; oxalic acid CAS Name: 4-[2-(3-bromoanilino)-4-thiazolyl]phenol; oxalic acid IUPAC Name: 4-[2-(3-bromoanilino)-1,3-thiazol-4-yl]phenol; oxalic acid Traditional Name: 4-[2-(3-bromoanilino)thiazol-4-yl]phenol; oxalic acid Formula: C17H13BrN2O5S MolecularWeight: 437.26452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC(=CS2)C3=CC=C(C=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC(=CS2)C3=CC=C(C=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H11BrN2OS.C2H2O4/c16-11-2-1-3-12(8-11)17-15-18-14(9-20-15)10-4-6-13(19)7-5-10;3-1(4)2(5)6/h1-9,19H,(H,17,18);(H,3,4)(H,5,6)