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

Systemtic Name: 5-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-benzyl-5-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: N-benzyl-5-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: benzyl-[5-[(4-bromo-2,5-dimethoxy-benzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C18H18BrN3O2S2 MolecularWeight: 452.38842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC2=NN=C(S2)NCC3=CC=CC=C3)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSC2=NN=C(S2)NCC3=CC=CC=C3)OC)Br

InChI

InChI=1S/C18H18BrN3O2S2/c1-23-15-9-14(19)16(24-2)8-13(15)11-25-18-22-21-17(26-18)20-10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,20,21)