3-[5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C14H15BrN4O3S MolecularWeight: 399.2629

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCO3)CCC(=O)N

InChI

InChI=1S/C14H15BrN4O3S/c1-19-13(3-2-12(16)20)17-18-14(19)23-6-8-4-10-11(5-9(8)15)22-7-21-10/h4-5H,2-3,6-7H2,1H3,(H2,16,20)