4-bromanyl-2-butyl-6-methyl-3-sulfanyl-2H-1,3-benzothiazole

Systemtic Name: 4-bromanyl-2-butyl-6-methyl-3-sulfanyl-2H-1,3-benzothiazole Openeye Name: 4-bromo-2-butyl-6-methyl-3-sulfanyl-2H-1,3-benzothiazole CAS Name: 4-bromo-2-butyl-3-mercapto-6-methyl-2H-1,3-benzothiazole IUPAC Name: 4-bromo-2-butyl-6-methyl-3-sulfanyl-2H-1,3-benzothiazole Traditional Name: 4-bromo-2-butyl-3-mercapto-6-methyl-2H-1,3-benzothiazole Formula: C12H16BrNS2 MolecularWeight: 318.29614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C2=C(S1)C=C(C=C2Br)C)S

Isomeric SMILES

CCCCC1N(C2=C(S1)C=C(C=C2Br)C)S

InChI

InChI=1S/C12H16BrNS2/c1-3-4-5-11-14(15)12-9(13)6-8(2)7-10(12)16-11/h6-7,11,15H,3-5H2,1-2H3