4-(3-bromanylphenoxy)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide

Systemtic Name: 4-(3-bromanylphenoxy)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(3-bromophenoxy)butanamide CAS Name: 4-(3-bromophenoxy)-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 4-(3-bromophenoxy)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-4-(3-bromophenoxy)butyramide Formula: C15H16BrN3O2S2 MolecularWeight: 414.34044

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C15H16BrN3O2S2/c1-2-9-22-15-19-18-14(23-15)17-13(20)7-4-8-21-12-6-3-5-11(16)10-12/h2-3,5-6,10H,1,4,7-9H2,(H,17,18,20)