4-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-2-methyl-1,3,4-benzoxadiazepin-5-one

Systemtic Name: 4-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-2-methyl-1,3,4-benzoxadiazepin-5-one Openeye Name: 4-[(2-chlorothiazol-5-yl)methyl]-2-methyl-1,3,4-benzoxadiazepin-5-one CAS Name: 4-[(2-chloro-5-thiazolyl)methyl]-2-methyl-1,3,4-benzoxadiazepin-5-one IUPAC Name: 4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-1,3,4-benzoxadiazepin-5-one Traditional Name: 4-[(2-chlorothiazol-5-yl)methyl]-2-methyl-1,3,4-benzoxadiazepin-5-one Formula: C13H10ClN3O2S MolecularWeight: 307.7554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C2O1)CC3=CN=C(S3)Cl

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C2O1)CC3=CN=C(S3)Cl

InChI

InChI=1S/C13H10ClN3O2S/c1-8-16-17(7-9-6-15-13(14)20-9)12(18)10-4-2-3-5-11(10)19-8/h2-6H,7H2,1H3