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

Systemtic Name: 5-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Openeye Name: N-allyl-5-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Traditional Name: allyl-[5-[(4-bromo-2,5-dimethoxy-benzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C14H16BrN3O2S2 MolecularWeight: 402.32974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC2=NN=C(S2)NCC=C)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSC2=NN=C(S2)NCC=C)OC)Br

InChI

InChI=1S/C14H16BrN3O2S2/c1-4-5-16-13-17-18-14(22-13)21-8-9-6-12(20-3)10(15)7-11(9)19-2/h4,6-7H,1,5,8H2,2-3H3,(H,16,17)