5-(1H-imidazol-5-ylmethyl)-3-methyl-1,3-benzothiazol-2-one

Systemtic Name: 5-(1H-imidazol-5-ylmethyl)-3-methyl-1,3-benzothiazol-2-one Openeye Name: 5-(1H-imidazol-5-ylmethyl)-3-methyl-1,3-benzothiazol-2-one CAS Name: 5-(1H-imidazol-5-ylmethyl)-3-methyl-1,3-benzothiazol-2-one IUPAC Name: 5-(1H-imidazol-5-ylmethyl)-3-methyl-1,3-benzothiazol-2-one Traditional Name: 5-(1H-imidazol-5-ylmethyl)-3-methyl-1,3-benzothiazol-2-one Formula: C12H11N3OS MolecularWeight: 245.30024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)CC3=CN=CN3)SC1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)CC3=CN=CN3)SC1=O

InChI

InChI=1S/C12H11N3OS/c1-15-10-5-8(4-9-6-13-7-14-9)2-3-11(10)17-12(15)16/h2-3,5-7H,4H2,1H3,(H,13,14)