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

Systemtic Name: 5-[(3-bromanyl-4-methoxy-phenyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(3-bromo-4-methoxy-phenyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-bromo-4-methoxyphenyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-bromo-4-methoxyphenyl)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-(3-bromo-4-methoxy-benzyl)-1,3,4-thiadiazol-2-yl]-phenyl-amine Formula: C16H14BrN3OS MolecularWeight: 376.27086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(S2)NC3=CC=CC=C3)Br

InChI

InChI=1S/C16H14BrN3OS/c1-21-14-8-7-11(9-13(14)17)10-15-19-20-16(22-15)18-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,20)