5-[(3-bromanylphenoxy)methyl]-2-(morpholin-4-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 5-[(3-bromanylphenoxy)methyl]-2-(morpholin-4-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-[(3-bromophenoxy)methyl]-2-(morpholinomethyl)-1,2,4-triazole-3-thione CAS Name: 5-[(3-bromophenoxy)methyl]-2-(4-morpholinylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(3-bromophenoxy)methyl]-2-(morpholin-4-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-[(3-bromophenoxy)methyl]-2-(morpholinomethyl)-1,2,4-triazole-3-thione Formula: C17H21BrN4O2S MolecularWeight: 425.34324

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)CN2CCOCC2)COC3=CC(=CC=C3)Br

Isomeric SMILES

C=CCN1C(=NN(C1=S)CN2CCOCC2)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H21BrN4O2S/c1-2-6-21-16(12-24-15-5-3-4-14(18)11-15)19-22(17(21)25)13-20-7-9-23-10-8-20/h2-5,11H,1,6-10,12-13H2