2-(4-imidazol-1-yl-4-oxidanylidene-butyl)-1,2-benzothiazol-3-one

Systemtic Name: 2-(4-imidazol-1-yl-4-oxidanylidene-butyl)-1,2-benzothiazol-3-one Openeye Name: 2-(4-imidazol-1-yl-4-oxo-butyl)-1,2-benzothiazol-3-one CAS Name: 2-[4-(1-imidazolyl)-4-oxobutyl]-1,2-benzothiazol-3-one IUPAC Name: 2-(4-imidazol-1-yl-4-oxobutyl)-1,2-benzothiazol-3-one Traditional Name: 2-(4-imidazol-1-yl-4-keto-butyl)-1,2-benzothiazol-3-one Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2)CCCC(=O)N3C=CN=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2)CCCC(=O)N3C=CN=C3

InChI

InChI=1S/C14H13N3O2S/c18-13(16-9-7-15-10-16)6-3-8-17-14(19)11-4-1-2-5-12(11)20-17/h1-2,4-5,7,9-10H,3,6,8H2