2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-thiadiazole

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-thiadiazole Openeye Name: 2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-(3-pyridyl)-1,3,4-thiadiazole CAS Name: 2-[(3-bromo-4-methoxyphenyl)methylthio]-5-(3-pyridinyl)-1,3,4-thiadiazole IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-thiadiazole Traditional Name: 2-[(3-bromo-4-methoxy-benzyl)thio]-5-(3-pyridyl)-1,3,4-thiadiazole Formula: C15H12BrN3OS2 MolecularWeight: 394.30928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(S2)C3=CN=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(S2)C3=CN=CC=C3)Br

InChI

InChI=1S/C15H12BrN3OS2/c1-20-13-5-4-10(7-12(13)16)9-21-15-19-18-14(22-15)11-3-2-6-17-8-11/h2-8H,9H2,1H3