2-(4-azanyl-5,1,2-benzoxadiazepin-3-yl)-1,3-thiazol-4-one

Systemtic Name: 2-(4-azanyl-5,1,2-benzoxadiazepin-3-yl)-1,3-thiazol-4-one Openeye Name: 2-(4-amino-5,1,2-benzoxadiazepin-3-yl)thiazol-4-one CAS Name: 2-(4-amino-5,1,2-benzoxadiazepin-3-yl)-4-thiazolone IUPAC Name: 2-(4-amino-5,1,2-benzoxadiazepin-3-yl)-1,3-thiazol-4-one Traditional Name: 2-(4-amino-5,1,2-benzoxadiazepin-3-yl)-2-thiazolin-4-one Formula: C11H8N4O2S MolecularWeight: 260.27182

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C(S1)C2=C(OC3=CC=CC=C3N=N2)N

Isomeric SMILES

C1C(=O)N=C(S1)C2=C(OC3=CC=CC=C3N=N2)N

InChI

InChI=1S/C11H8N4O2S/c12-10-9(11-13-8(16)5-18-11)15-14-6-3-1-2-4-7(6)17-10/h1-4H,5,12H2