4,5-diethyl-2-(4-methylpentyl)-1,2-benzothiazol-3-one

Systemtic Name: 4,5-diethyl-2-(4-methylpentyl)-1,2-benzothiazol-3-one Openeye Name: 4,5-diethyl-2-isohexyl-1,2-benzothiazol-3-one CAS Name: 4,5-diethyl-2-(4-methylpentyl)-1,2-benzothiazol-3-one IUPAC Name: 4,5-diethyl-2-(4-methylpentyl)-1,2-benzothiazol-3-one Traditional Name: 4,5-diethyl-2-isohexyl-1,2-benzothiazol-3-one Formula: C17H25NOS MolecularWeight: 291.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C1)SN(C2=O)CCCC(C)C)CC

Isomeric SMILES

CCC1=C(C2=C(C=C1)SN(C2=O)CCCC(C)C)CC

InChI

InChI=1S/C17H25NOS/c1-5-13-9-10-15-16(14(13)6-2)17(19)18(20-15)11-7-8-12(3)4/h9-10,12H,5-8,11H2,1-4H3