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

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-cyclopropyl-5-pyrrolidino-1,2,4-triazole Formula: C18H21BrN4O2S MolecularWeight: 437.35394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC4=CC5=C(C=C4Br)OCCO5

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC4=CC5=C(C=C4Br)OCCO5

InChI

InChI=1S/C18H21BrN4O2S/c19-14-10-16-15(24-7-8-25-16)9-12(14)11-26-18-21-20-17(22-5-1-2-6-22)23(18)13-3-4-13/h9-10,13H,1-8,11H2