5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Openeye Name: N-allyl-5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-bromo-4-methoxyphenyl)methylthio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Traditional Name: allyl-[5-[(3-bromo-4-methoxy-benzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C13H14BrN3OS2 MolecularWeight: 372.30376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(S2)NCC=C)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(S2)NCC=C)Br

InChI

InChI=1S/C13H14BrN3OS2/c1-3-6-15-12-16-17-13(20-12)19-8-9-4-5-11(18-2)10(14)7-9/h3-5,7H,1,6,8H2,2H3,(H,15,16)