3-[3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C17H19BrN4O3S MolecularWeight: 439.32676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C17H19BrN4O3S/c18-12-8-14-13(24-5-6-25-14)7-11(12)9-26-17-21-20-16(10-1-2-10)22(17)4-3-15(19)23/h7-8,10H,1-6,9H2,(H2,19,23)