N-(3-bromanyl-5-chloranyl-2-methoxy-phenyl)thian-4-amine

Systemtic Name: N-(3-bromanyl-5-chloranyl-2-methoxy-phenyl)thian-4-amine Openeye Name: N-(3-bromo-5-chloro-2-methoxy-phenyl)tetrahydrothiopyran-4-amine CAS Name: N-(3-bromo-5-chloro-2-methoxyphenyl)-4-thianamine IUPAC Name: N-(3-bromo-5-chloro-2-methoxyphenyl)thian-4-amine Traditional Name: (3-bromo-5-chloro-2-methoxy-phenyl)-tetrahydrothiopyran-4-yl-amine Formula: C12H15BrClNOS MolecularWeight: 336.6756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1NC2CCSCC2)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1NC2CCSCC2)Cl)Br

InChI

InChI=1S/C12H15BrClNOS/c1-16-12-10(13)6-8(14)7-11(12)15-9-2-4-17-5-3-9/h6-7,9,15H,2-5H2,1H3