2,5-dimethyl-1,3-benzothiazole; iodanylethane

Systemtic Name: 2,5-dimethyl-1,3-benzothiazole; iodanylethane Openeye Name: 2,5-dimethyl-1,3-benzothiazole; iodoethane CAS Name: 2,5-dimethyl-1,3-benzothiazole; iodoethane IUPAC Name: 2,5-dimethyl-1,3-benzothiazole; iodoethane Traditional Name: 2,5-dimethyl-1,3-benzothiazole; iodoethane Formula: C11H14INS MolecularWeight: 319.20503

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Descriptors Computed from Structure

Canonical SMILES:

CCI.CC1=CC2=C(C=C1)SC(=N2)C

Isomeric SMILES

CCI.CC1=CC2=C(C=C1)SC(=N2)C

InChI

InChI=1S/C9H9NS.C2H5I/c1-6-3-4-9-8(5-6)10-7(2)11-9;1-2-3/h3-5H,1-2H3;2H2,1H3