5-(1,2-diazepin-1-yl)-2-phenyl-1,3-thiazole-4-carboxylic acid

Systemtic Name: 5-(1,2-diazepin-1-yl)-2-phenyl-1,3-thiazole-4-carboxylic acid Openeye Name: 5-(diazepin-1-yl)-2-phenyl-thiazole-4-carboxylic acid CAS Name: 5-(1-diazepinyl)-2-phenyl-4-thiazolecarboxylic acid IUPAC Name: 5-(diazepin-1-yl)-2-phenyl-1,3-thiazole-4-carboxylic acid Traditional Name: 5-(diazepin-1-yl)-2-phenyl-thiazole-4-carboxylic acid Formula: C15H11N3O2S MolecularWeight: 297.33174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(S2)N3C=CC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(S2)N3C=CC=CC=N3)C(=O)O

InChI

InChI=1S/C15H11N3O2S/c19-15(20)12-14(18-10-6-2-5-9-16-18)21-13(17-12)11-7-3-1-4-8-11/h1-10H,(H,19,20)