N-(4-bromanyl-3-methyl-phenyl)-5-(2-phenoxypyridin-3-yl)-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-5-(2-phenoxypyridin-3-yl)-1,3,4-thiadiazol-2-amine Openeye Name: N-(4-bromo-3-methyl-phenyl)-5-(2-phenoxy-3-pyridyl)-1,3,4-thiadiazol-2-amine CAS Name: N-(4-bromo-3-methylphenyl)-5-(2-phenoxy-3-pyridinyl)-1,3,4-thiadiazol-2-amine IUPAC Name: N-(4-bromo-3-methylphenyl)-5-(2-phenoxypyridin-3-yl)-1,3,4-thiadiazol-2-amine Traditional Name: (4-bromo-3-methyl-phenyl)-[5-(2-phenoxy-3-pyridyl)-1,3,4-thiadiazol-2-yl]amine Formula: C20H15BrN4OS MolecularWeight: 439.3283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NN=C(S2)C3=C(N=CC=C3)OC4=CC=CC=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NN=C(S2)C3=C(N=CC=C3)OC4=CC=CC=C4)Br

InChI

InChI=1S/C20H15BrN4OS/c1-13-12-14(9-10-17(13)21)23-20-25-24-19(27-20)16-8-5-11-22-18(16)26-15-6-3-2-4-7-15/h2-12H,1H3,(H,23,25)