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

Systemtic Name: 5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-bromo-4-methoxyphenyl)methylthio]-N-cyclopropyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(3-bromo-4-methoxy-benzyl)thio]-1,3,4-thiadiazol-2-yl]-cyclopropyl-amine Formula: C13H14BrN3OS2 MolecularWeight: 372.30376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(S2)NC3CC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(S2)NC3CC3)Br

InChI

InChI=1S/C13H14BrN3OS2/c1-18-11-5-2-8(6-10(11)14)7-19-13-17-16-12(20-13)15-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,15,16)