1-(3-bromanyl-4-methoxy-phenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C14H14BrN3O2S2 MolecularWeight: 400.31386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrN3O2S2/c1-20-12-5-2-8(6-10(12)15)11(19)7-21-14-18-17-13(22-14)16-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,16,17)